| Literature DB >> 22219772 |
Daniel Franz1, Hans-Wolfram Lerner, Dominik Büttner, Michael Bolte.
Abstract
The title compound, [Li(4)O(4)(C(12)H(8)BO)(4)(C(4)H(10)O)(4)], features a Li(4)O(4) cube. Each Li atom in the cube is additionally coordinated by a diethyl ether mol-ecule and each O atom in the cube carries a 9-oxa-10-boraanthracene residue. The crystal studied was a non-merohedral twin [twin law (-1 0 0 / 0 0 1 / 0 1 0); the contribution of the major twin component refined to 0.553 (3)] emulating apparent tetra-gonal symmetry, whereas the actual crystal system is just ortho-rhom-bic.Entities:
Year: 2011 PMID: 22219772 PMCID: PMC3246952 DOI: 10.1107/S1600536811041201
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Li4O4(C12H8BO)4(C4H10O)4] | |
| Orthorhombic, | Mo |
| Hall symbol: P 2c -2n | Cell parameters from 31407 reflections |
| θ = 2.6–27.6° | |
| µ = 0.07 mm−1 | |
| Block, colourless | |
| 0.30 × 0.30 × 0.25 mm |
| Stoe IPDS II two-circle diffractometer | 4842 reflections with |
| Radiation source: fine-focus sealed tube | |
| graphite | θmax = 25.0°, θmin = 2.6° |
| ω scans | |
| 77138 measured reflections | |
| 6262 independent reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 6262 reflections | (Δ/σ)max < 0.001 |
| 758 parameters | Δρmax = 1.10 e Å−3 |
| 29 restraints | Δρmin = −0.35 e Å−3 |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Li1 | 0.2089 (6) | 0.3403 (9) | 0.3594 (8) | 0.038 (3) | |
| Li2 | 0.2083 (6) | 0.3930 (7) | 0.2230 (8) | 0.036 (3) | |
| Li3 | 0.3031 (7) | 0.4314 (8) | 0.3137 (9) | 0.042 (3) | |
| Li4 | 0.2925 (7) | 0.2883 (8) | 0.2619 (9) | 0.043 (3) | |
| O1 | 0.1998 (2) | 0.2886 (3) | 0.2596 (3) | 0.0329 (12) | |
| B1 | 0.1703 (4) | 0.2205 (7) | 0.2502 (6) | 0.040 (2) | |
| O11 | 0.1002 (3) | 0.0777 (4) | 0.2420 (4) | 0.0493 (16) | |
| C11 | 0.1805 (4) | 0.1534 (4) | 0.3043 (5) | 0.036 (2) | |
| C12 | 0.1448 (4) | 0.0847 (5) | 0.2990 (5) | 0.0366 (19) | |
| C13 | 0.1513 (5) | 0.0228 (5) | 0.3464 (6) | 0.052 (3) | |
| H13 | 0.1263 | −0.0212 | 0.3394 | 0.063* | |
| C14 | 0.1950 (5) | 0.0258 (6) | 0.4045 (6) | 0.050 (2) | |
| H14 | 0.1996 | −0.0163 | 0.4379 | 0.060* | |
| C15 | 0.2324 (5) | 0.0898 (5) | 0.4146 (6) | 0.048 (2) | |
| H15 | 0.2629 | 0.0908 | 0.4536 | 0.058* | |
| C16 | 0.2245 (4) | 0.1524 (5) | 0.3669 (5) | 0.040 (2) | |
| H16 | 0.2492 | 0.1964 | 0.3758 | 0.048* | |
| C21 | 0.1249 (4) | 0.2014 (5) | 0.1869 (5) | 0.0375 (19) | |
| C22 | 0.0932 (4) | 0.1308 (5) | 0.1852 (5) | 0.0359 (18) | |
| C23 | 0.0524 (5) | 0.1086 (5) | 0.1293 (6) | 0.048 (2) | |
| H23 | 0.0321 | 0.0607 | 0.1314 | 0.057* | |
| C24 | 0.0420 (5) | 0.1576 (6) | 0.0708 (7) | 0.060 (3) | |
| H24 | 0.0144 | 0.1423 | 0.0315 | 0.072* | |
| C25 | 0.0704 (5) | 0.2309 (6) | 0.0654 (6) | 0.050 (2) | |
| H25 | 0.0619 | 0.2650 | 0.0247 | 0.060* | |
| C26 | 0.1102 (4) | 0.2481 (5) | 0.1228 (6) | 0.046 (2) | |
| H26 | 0.1305 | 0.2960 | 0.1201 | 0.055* | |
| O2 | 0.2096 (2) | 0.4444 (3) | 0.3248 (3) | 0.0355 (13) | |
| B2 | 0.1827 (4) | 0.5118 (6) | 0.3302 (6) | 0.039 (2) | |
| O21 | 0.1125 (3) | 0.6553 (4) | 0.3318 (4) | 0.0488 (16) | |
| C31 | 0.1916 (4) | 0.5811 (5) | 0.2722 (5) | 0.042 (2) | |
| C32 | 0.1571 (3) | 0.6410 (5) | 0.2780 (6) | 0.0376 (19) | |
| C33 | 0.1616 (6) | 0.7047 (6) | 0.2240 (8) | 0.066 (3) | |
| H33 | 0.1344 | 0.7471 | 0.2271 | 0.079* | |
| C34 | 0.2070 (5) | 0.7002 (6) | 0.1690 (6) | 0.051 (2) | |
| H34 | 0.2127 | 0.7411 | 0.1343 | 0.061* | |
| C35 | 0.2441 (5) | 0.6365 (6) | 0.1640 (6) | 0.055 (3) | |
| H35 | 0.2757 | 0.6335 | 0.1263 | 0.066* | |
| C36 | 0.2351 (4) | 0.5776 (5) | 0.2139 (6) | 0.046 (2) | |
| H36 | 0.2595 | 0.5329 | 0.2084 | 0.055* | |
| C41 | 0.1360 (4) | 0.5356 (5) | 0.3977 (5) | 0.044 (2) | |
| C42 | 0.1061 (4) | 0.6060 (5) | 0.3915 (6) | 0.048 (2) | |
| C43 | 0.0656 (4) | 0.6295 (6) | 0.4499 (7) | 0.057 (3) | |
| H43 | 0.0449 | 0.6769 | 0.4453 | 0.069* | |
| C44 | 0.0554 (5) | 0.5873 (6) | 0.5113 (6) | 0.050 (2) | |
| H44 | 0.0271 | 0.6043 | 0.5493 | 0.060* | |
| C45 | 0.0860 (5) | 0.5181 (7) | 0.5201 (6) | 0.059 (3) | |
| H45 | 0.0798 | 0.4879 | 0.5643 | 0.071* | |
| C46 | 0.1261 (5) | 0.4941 (6) | 0.4624 (6) | 0.051 (2) | |
| H46 | 0.1473 | 0.4471 | 0.4683 | 0.061* | |
| O3 | 0.3006 (2) | 0.3929 (3) | 0.2104 (3) | 0.0352 (13) | |
| B3 | 0.3282 (5) | 0.4009 (6) | 0.1437 (5) | 0.038 (2) | |
| O31 | 0.3956 (3) | 0.4077 (4) | −0.0034 (4) | 0.0457 (15) | |
| C51 | 0.3768 (4) | 0.4645 (5) | 0.1194 (5) | 0.042 (2) | |
| C52 | 0.4062 (4) | 0.4633 (5) | 0.0504 (5) | 0.037 (2) | |
| C53 | 0.4467 (4) | 0.5175 (7) | 0.0263 (6) | 0.053 (3) | |
| H53 | 0.4633 | 0.5152 | −0.0237 | 0.064* | |
| C54 | 0.4626 (5) | 0.5721 (9) | 0.0712 (9) | 0.080 (4) | |
| H54 | 0.4922 | 0.6081 | 0.0538 | 0.095* | |
| C55 | 0.4373 (5) | 0.5808 (7) | 0.1468 (6) | 0.060 (3) | |
| H55 | 0.4498 | 0.6206 | 0.1799 | 0.072* | |
| C56 | 0.3923 (5) | 0.5255 (5) | 0.1678 (7) | 0.053 (3) | |
| H56 | 0.3721 | 0.5297 | 0.2158 | 0.063* | |
| C61 | 0.3153 (4) | 0.3469 (5) | 0.0745 (5) | 0.0374 (19) | |
| C62 | 0.3486 (4) | 0.3535 (5) | 0.0062 (6) | 0.042 (2) | |
| C63 | 0.3400 (5) | 0.3044 (6) | −0.0551 (6) | 0.051 (3) | |
| H63 | 0.3651 | 0.3095 | −0.0993 | 0.062* | |
| C64 | 0.2947 (5) | 0.2480 (6) | −0.0518 (7) | 0.057 (3) | |
| H64 | 0.2883 | 0.2147 | −0.0936 | 0.068* | |
| C65 | 0.2587 (5) | 0.2414 (6) | 0.0141 (6) | 0.050 (2) | |
| H65 | 0.2271 | 0.2037 | 0.0166 | 0.060* | |
| C66 | 0.2681 (4) | 0.2882 (5) | 0.0753 (6) | 0.042 (2) | |
| H66 | 0.2431 | 0.2819 | 0.1194 | 0.051* | |
| O4 | 0.3030 (3) | 0.3267 (3) | 0.3654 (3) | 0.0372 (13) | |
| B4 | 0.3319 (4) | 0.3156 (6) | 0.4320 (5) | 0.036 (2) | |
| O41 | 0.4020 (3) | 0.3012 (5) | 0.5751 (5) | 0.065 (2) | |
| C71 | 0.3730 (4) | 0.2444 (5) | 0.4515 (6) | 0.043 (2) | |
| C72 | 0.4030 (4) | 0.2436 (6) | 0.5220 (7) | 0.055 (3) | |
| C73 | 0.4406 (5) | 0.1772 (9) | 0.5443 (9) | 0.088 (6) | |
| H73 | 0.4606 | 0.1749 | 0.5924 | 0.105* | |
| C74 | 0.4458 (5) | 0.1179 (7) | 0.4918 (8) | 0.066 (3) | |
| H74 | 0.4714 | 0.0756 | 0.5042 | 0.079* | |
| C75 | 0.4171 (5) | 0.1182 (7) | 0.4270 (7) | 0.062 (3) | |
| H75 | 0.4205 | 0.0753 | 0.3944 | 0.075* | |
| C76 | 0.3810 (5) | 0.1803 (6) | 0.4040 (7) | 0.054 (3) | |
| H76 | 0.3615 | 0.1794 | 0.3555 | 0.064* | |
| C81 | 0.3238 (4) | 0.3718 (7) | 0.5004 (6) | 0.051 (3) | |
| C82 | 0.3607 (5) | 0.3611 (6) | 0.5690 (6) | 0.050 (3) | |
| C83 | 0.3602 (7) | 0.4080 (9) | 0.6264 (7) | 0.082 (4) | |
| H83 | 0.3870 | 0.4003 | 0.6687 | 0.099* | |
| C84 | 0.3187 (6) | 0.4710 (9) | 0.6244 (7) | 0.077 (4) | |
| H84 | 0.3181 | 0.5048 | 0.6665 | 0.092* | |
| C85 | 0.2794 (6) | 0.4849 (6) | 0.5639 (6) | 0.063 (3) | |
| H85 | 0.2507 | 0.5260 | 0.5634 | 0.075* | |
| C86 | 0.2850 (5) | 0.4335 (7) | 0.5031 (6) | 0.056 (3) | |
| H86 | 0.2595 | 0.4424 | 0.4598 | 0.067* | |
| O100 | 0.1537 (3) | 0.3001 (4) | 0.4400 (4) | 0.0420 (15) | |
| C101 | 0.0881 (5) | 0.3054 (6) | 0.4229 (7) | 0.064 (3) | |
| H10A | 0.0828 | 0.3345 | 0.3751 | 0.077* | |
| H10B | 0.0672 | 0.3342 | 0.4640 | 0.077* | |
| C102 | 0.0568 (6) | 0.2299 (7) | 0.4144 (9) | 0.088 (4) | |
| H10C | 0.0127 | 0.2376 | 0.4022 | 0.131* | |
| H10D | 0.0604 | 0.2015 | 0.4622 | 0.131* | |
| H10E | 0.0769 | 0.2013 | 0.3734 | 0.131* | |
| C103 | 0.1706 (5) | 0.2631 (6) | 0.5096 (6) | 0.054 (2) | |
| H10F | 0.2164 | 0.2570 | 0.5108 | 0.065* | |
| H10G | 0.1521 | 0.2116 | 0.5099 | 0.065* | |
| C104 | 0.1504 (7) | 0.3042 (9) | 0.5803 (7) | 0.087 (4) | |
| H10H | 0.1632 | 0.2751 | 0.6252 | 0.130* | |
| H10I | 0.1051 | 0.3098 | 0.5802 | 0.130* | |
| H10J | 0.1699 | 0.3545 | 0.5817 | 0.130* | |
| O200 | 0.1504 (3) | 0.4389 (4) | 0.1424 (4) | 0.0443 (15) | |
| C201 | 0.1758 (5) | 0.4729 (5) | 0.0736 (5) | 0.053 (2) | |
| H20A | 0.2218 | 0.4709 | 0.0751 | 0.063* | |
| H20B | 0.1630 | 0.5269 | 0.0705 | 0.063* | |
| C202 | 0.1523 (6) | 0.4307 (7) | 0.0048 (6) | 0.069 (3) | |
| H20C | 0.1692 | 0.4541 | −0.0414 | 0.104* | |
| H20D | 0.1068 | 0.4329 | 0.0035 | 0.104* | |
| H20E | 0.1657 | 0.3775 | 0.0076 | 0.104* | |
| C203 | 0.0891 (5) | 0.4639 (8) | 0.1573 (6) | 0.076 (4) | |
| H20F | 0.0626 | 0.4556 | 0.1120 | 0.091* | |
| H20G | 0.0892 | 0.5189 | 0.1692 | 0.091* | |
| C204 | 0.0638 (6) | 0.4194 (10) | 0.2243 (7) | 0.100 (6) | |
| H20H | 0.0214 | 0.4365 | 0.2357 | 0.150* | |
| H20I | 0.0904 | 0.4277 | 0.2688 | 0.150* | |
| H20J | 0.0632 | 0.3652 | 0.2117 | 0.150* | |
| O300 | 0.3595 (3) | 0.5095 (4) | 0.3595 (4) | 0.0498 (16) | |
| C301 | 0.4210 (5) | 0.4977 (8) | 0.3876 (11) | 0.095 (5) | |
| H30A | 0.4468 | 0.5431 | 0.3775 | 0.114* | |
| H30B | 0.4198 | 0.4891 | 0.4432 | 0.114* | |
| C302 | 0.4487 (5) | 0.4300 (7) | 0.3488 (7) | 0.073 (4) | |
| H30C | 0.4914 | 0.4223 | 0.3670 | 0.110* | |
| H30D | 0.4492 | 0.4385 | 0.2937 | 0.110* | |
| H30E | 0.4237 | 0.3849 | 0.3603 | 0.110* | |
| C303 | 0.3346 (5) | 0.5812 (6) | 0.3922 (6) | 0.059 (3) | |
| H30F | 0.2886 | 0.5792 | 0.3897 | 0.071* | |
| H30G | 0.3463 | 0.5832 | 0.4467 | 0.071* | |
| C304 | 0.3556 (8) | 0.6536 (6) | 0.3554 (9) | 0.099 (5) | |
| H30H | 0.3366 | 0.6969 | 0.3816 | 0.149* | |
| H30I | 0.3429 | 0.6538 | 0.3018 | 0.149* | |
| H30J | 0.4011 | 0.6574 | 0.3586 | 0.149* | |
| O400 | 0.3445 (3) | 0.2028 (4) | 0.2106 (4) | 0.0425 (14) | |
| C401 | 0.4073 (5) | 0.2117 (6) | 0.1855 (6) | 0.059 (3) | |
| H40A | 0.4074 | 0.2248 | 0.1307 | 0.071* | |
| H40B | 0.4296 | 0.1629 | 0.1916 | 0.071* | |
| C402 | 0.4417 (5) | 0.2725 (7) | 0.2287 (8) | 0.076 (4) | |
| H40C | 0.4846 | 0.2756 | 0.2102 | 0.114* | |
| H40D | 0.4418 | 0.2599 | 0.2831 | 0.114* | |
| H40E | 0.4209 | 0.3215 | 0.2212 | 0.114* | |
| C403 | 0.3155 (5) | 0.1381 (5) | 0.1775 (7) | 0.056 (3) | |
| H40F | 0.3273 | 0.1350 | 0.1232 | 0.067* | |
| H40G | 0.2697 | 0.1443 | 0.1803 | 0.067* | |
| C404 | 0.3335 (6) | 0.0659 (5) | 0.2164 (7) | 0.067 (3) | |
| H40H | 0.3111 | 0.0233 | 0.1932 | 0.101* | |
| H40I | 0.3228 | 0.0692 | 0.2706 | 0.101* | |
| H40J | 0.3784 | 0.0579 | 0.2111 | 0.101* |
| Li1 | 0.031 (7) | 0.051 (8) | 0.030 (7) | 0.002 (6) | 0.004 (6) | −0.017 (6) |
| Li2 | 0.039 (7) | 0.026 (6) | 0.043 (8) | 0.001 (6) | −0.020 (6) | −0.006 (6) |
| Li3 | 0.042 (7) | 0.030 (7) | 0.053 (9) | 0.016 (6) | −0.018 (7) | −0.004 (6) |
| Li4 | 0.050 (8) | 0.031 (7) | 0.047 (8) | −0.020 (6) | −0.023 (7) | −0.007 (6) |
| O1 | 0.028 (3) | 0.035 (3) | 0.036 (3) | −0.004 (2) | −0.001 (2) | 0.001 (2) |
| B1 | 0.018 (4) | 0.061 (7) | 0.042 (6) | 0.003 (4) | 0.006 (4) | 0.008 (5) |
| O11 | 0.048 (4) | 0.037 (3) | 0.063 (4) | −0.010 (3) | 0.005 (3) | −0.008 (3) |
| C11 | 0.033 (4) | 0.025 (4) | 0.049 (5) | −0.004 (3) | 0.015 (4) | −0.005 (3) |
| C12 | 0.033 (4) | 0.029 (4) | 0.048 (5) | 0.000 (4) | 0.006 (4) | −0.009 (4) |
| C13 | 0.069 (7) | 0.027 (5) | 0.061 (7) | −0.017 (4) | 0.015 (5) | −0.004 (4) |
| C14 | 0.049 (5) | 0.043 (5) | 0.057 (6) | −0.005 (4) | 0.006 (5) | 0.019 (5) |
| C15 | 0.050 (5) | 0.046 (5) | 0.048 (5) | 0.003 (4) | 0.012 (4) | 0.010 (4) |
| C16 | 0.046 (5) | 0.036 (4) | 0.037 (5) | −0.004 (4) | 0.002 (4) | 0.006 (4) |
| C21 | 0.035 (4) | 0.041 (4) | 0.036 (5) | −0.010 (4) | 0.004 (4) | −0.011 (4) |
| C22 | 0.025 (4) | 0.036 (4) | 0.047 (5) | −0.006 (3) | 0.003 (4) | 0.002 (4) |
| C23 | 0.050 (5) | 0.043 (5) | 0.049 (5) | −0.011 (4) | 0.001 (5) | −0.007 (4) |
| C24 | 0.036 (5) | 0.073 (7) | 0.071 (7) | −0.016 (5) | −0.005 (5) | −0.012 (6) |
| C25 | 0.049 (6) | 0.058 (6) | 0.044 (6) | −0.007 (4) | −0.008 (4) | −0.018 (5) |
| C26 | 0.037 (5) | 0.034 (5) | 0.065 (6) | −0.003 (4) | −0.006 (4) | −0.004 (4) |
| O2 | 0.035 (3) | 0.038 (3) | 0.033 (3) | 0.005 (2) | −0.010 (2) | −0.002 (2) |
| B2 | 0.024 (4) | 0.047 (6) | 0.046 (5) | −0.003 (4) | −0.003 (4) | −0.008 (5) |
| O21 | 0.046 (4) | 0.043 (3) | 0.058 (4) | 0.002 (3) | −0.001 (3) | 0.001 (3) |
| C31 | 0.038 (5) | 0.049 (5) | 0.038 (5) | −0.013 (4) | −0.013 (4) | 0.004 (4) |
| C32 | 0.036 (4) | 0.033 (5) | 0.044 (6) | 0.008 (4) | −0.007 (4) | 0.006 (4) |
| C33 | 0.060 (7) | 0.041 (6) | 0.098 (10) | 0.005 (5) | −0.025 (7) | 0.001 (6) |
| C34 | 0.055 (6) | 0.046 (5) | 0.053 (6) | −0.009 (5) | 0.006 (5) | 0.002 (4) |
| C35 | 0.062 (7) | 0.051 (5) | 0.052 (6) | −0.002 (5) | 0.011 (5) | 0.002 (4) |
| C36 | 0.043 (5) | 0.037 (5) | 0.059 (6) | 0.001 (4) | 0.006 (5) | 0.002 (4) |
| C41 | 0.044 (5) | 0.048 (5) | 0.040 (5) | −0.008 (4) | −0.003 (4) | −0.007 (4) |
| C42 | 0.037 (5) | 0.041 (5) | 0.065 (6) | −0.005 (4) | −0.004 (5) | −0.010 (4) |
| C43 | 0.039 (5) | 0.064 (6) | 0.068 (7) | 0.005 (5) | 0.012 (5) | −0.042 (6) |
| C44 | 0.049 (6) | 0.052 (6) | 0.049 (6) | 0.001 (4) | 0.005 (5) | −0.019 (5) |
| C45 | 0.052 (6) | 0.075 (7) | 0.050 (6) | −0.012 (5) | 0.012 (5) | −0.024 (5) |
| C46 | 0.059 (6) | 0.052 (5) | 0.042 (5) | −0.003 (5) | 0.009 (5) | −0.007 (4) |
| O3 | 0.032 (3) | 0.043 (3) | 0.031 (3) | −0.008 (2) | −0.003 (2) | −0.001 (2) |
| B3 | 0.031 (5) | 0.055 (6) | 0.029 (5) | 0.016 (5) | −0.001 (4) | 0.006 (4) |
| O31 | 0.033 (3) | 0.056 (4) | 0.048 (4) | −0.002 (3) | 0.010 (3) | 0.015 (3) |
| C51 | 0.036 (5) | 0.046 (5) | 0.045 (5) | 0.004 (4) | −0.003 (4) | 0.001 (4) |
| C52 | 0.025 (4) | 0.048 (5) | 0.037 (5) | 0.001 (4) | −0.002 (3) | 0.021 (4) |
| C53 | 0.030 (5) | 0.080 (8) | 0.049 (6) | −0.005 (5) | 0.002 (4) | 0.007 (5) |
| C54 | 0.043 (6) | 0.098 (10) | 0.098 (10) | 0.000 (6) | −0.007 (7) | 0.053 (8) |
| C55 | 0.049 (6) | 0.074 (7) | 0.058 (6) | −0.027 (5) | 0.003 (5) | 0.012 (5) |
| C56 | 0.049 (6) | 0.038 (5) | 0.071 (7) | −0.016 (4) | 0.001 (5) | 0.008 (5) |
| C61 | 0.041 (5) | 0.040 (5) | 0.032 (4) | 0.007 (4) | −0.002 (4) | 0.000 (4) |
| C62 | 0.038 (5) | 0.042 (5) | 0.045 (5) | 0.013 (4) | −0.003 (4) | 0.008 (4) |
| C63 | 0.050 (6) | 0.064 (6) | 0.040 (5) | 0.008 (5) | 0.002 (5) | −0.017 (5) |
| C64 | 0.056 (6) | 0.046 (6) | 0.068 (7) | 0.015 (5) | −0.004 (5) | −0.018 (5) |
| C65 | 0.056 (6) | 0.053 (5) | 0.040 (5) | −0.001 (4) | 0.008 (5) | −0.009 (4) |
| C66 | 0.047 (5) | 0.039 (4) | 0.041 (5) | −0.005 (4) | −0.001 (4) | 0.003 (4) |
| O4 | 0.034 (3) | 0.042 (3) | 0.035 (3) | −0.004 (3) | −0.004 (2) | 0.004 (3) |
| B4 | 0.032 (4) | 0.052 (6) | 0.023 (4) | −0.004 (4) | −0.008 (4) | 0.010 (4) |
| O41 | 0.055 (4) | 0.087 (5) | 0.053 (4) | −0.024 (4) | −0.020 (4) | 0.030 (4) |
| C71 | 0.015 (4) | 0.064 (6) | 0.050 (5) | −0.004 (4) | −0.003 (4) | 0.028 (5) |
| C72 | 0.033 (5) | 0.066 (7) | 0.065 (7) | −0.007 (4) | 0.002 (5) | 0.028 (6) |
| C73 | 0.027 (5) | 0.124 (12) | 0.112 (12) | −0.004 (6) | −0.007 (6) | 0.091 (11) |
| C74 | 0.051 (6) | 0.058 (7) | 0.089 (9) | 0.015 (5) | 0.009 (6) | 0.030 (7) |
| C75 | 0.046 (6) | 0.070 (7) | 0.072 (8) | 0.011 (5) | 0.014 (6) | 0.035 (6) |
| C76 | 0.038 (5) | 0.055 (6) | 0.068 (7) | 0.016 (5) | 0.006 (5) | 0.011 (5) |
| C81 | 0.032 (5) | 0.075 (7) | 0.046 (6) | −0.015 (5) | −0.003 (4) | 0.013 (5) |
| C82 | 0.056 (6) | 0.058 (6) | 0.035 (5) | −0.031 (5) | −0.017 (5) | 0.011 (5) |
| C83 | 0.086 (9) | 0.112 (11) | 0.050 (7) | −0.047 (9) | −0.024 (6) | 0.006 (7) |
| C84 | 0.073 (8) | 0.111 (11) | 0.047 (6) | −0.041 (8) | −0.006 (6) | −0.014 (7) |
| C85 | 0.072 (7) | 0.063 (7) | 0.053 (6) | −0.026 (5) | 0.003 (5) | −0.023 (5) |
| C86 | 0.048 (6) | 0.076 (7) | 0.044 (6) | −0.012 (5) | −0.001 (5) | −0.010 (5) |
| O100 | 0.030 (3) | 0.051 (4) | 0.045 (3) | −0.004 (3) | 0.000 (3) | 0.009 (3) |
| C101 | 0.047 (6) | 0.084 (8) | 0.062 (7) | −0.003 (6) | 0.004 (5) | 0.006 (6) |
| C102 | 0.066 (8) | 0.114 (11) | 0.084 (9) | −0.008 (8) | 0.018 (7) | −0.022 (8) |
| C103 | 0.047 (5) | 0.066 (6) | 0.049 (6) | 0.003 (5) | 0.015 (5) | 0.007 (5) |
| C104 | 0.083 (9) | 0.123 (12) | 0.055 (7) | 0.000 (9) | 0.004 (7) | −0.009 (8) |
| O200 | 0.035 (3) | 0.053 (4) | 0.045 (4) | −0.002 (3) | −0.006 (3) | 0.009 (3) |
| C201 | 0.053 (6) | 0.050 (6) | 0.055 (6) | 0.008 (4) | −0.006 (5) | 0.015 (5) |
| C202 | 0.074 (8) | 0.091 (9) | 0.043 (6) | −0.007 (7) | −0.014 (6) | 0.015 (6) |
| C203 | 0.056 (7) | 0.117 (11) | 0.054 (7) | 0.013 (7) | −0.013 (6) | −0.002 (7) |
| C204 | 0.040 (6) | 0.197 (18) | 0.063 (8) | −0.032 (8) | 0.013 (6) | −0.038 (10) |
| O300 | 0.043 (3) | 0.057 (4) | 0.050 (4) | −0.013 (3) | −0.002 (3) | −0.005 (3) |
| C301 | 0.035 (6) | 0.097 (10) | 0.153 (16) | −0.009 (6) | −0.010 (7) | −0.035 (10) |
| C302 | 0.067 (7) | 0.096 (9) | 0.056 (7) | −0.009 (7) | −0.023 (6) | −0.004 (6) |
| C303 | 0.062 (7) | 0.063 (7) | 0.052 (6) | −0.009 (5) | −0.001 (5) | −0.014 (5) |
| C304 | 0.145 (14) | 0.059 (8) | 0.094 (10) | 0.008 (9) | 0.051 (10) | −0.002 (7) |
| O400 | 0.038 (3) | 0.046 (3) | 0.043 (3) | 0.006 (3) | 0.002 (3) | −0.002 (3) |
| C401 | 0.057 (6) | 0.074 (7) | 0.047 (6) | 0.011 (5) | 0.014 (5) | −0.011 (5) |
| C402 | 0.052 (7) | 0.080 (8) | 0.095 (10) | −0.024 (6) | 0.026 (7) | −0.012 (7) |
| C403 | 0.058 (6) | 0.046 (5) | 0.063 (6) | 0.002 (5) | 0.005 (5) | −0.007 (5) |
| C404 | 0.085 (8) | 0.042 (6) | 0.074 (8) | 0.016 (6) | −0.015 (7) | −0.018 (5) |
| Li1—O2 | 1.932 (17) | C62—C63 | 1.392 (14) |
| Li1—O1 | 1.986 (14) | C63—C64 | 1.392 (15) |
| Li1—O100 | 1.980 (16) | C63—H63 | 0.9500 |
| Li1—O4 | 2.037 (14) | C64—C65 | 1.397 (16) |
| Li1—Li2 | 2.57 (2) | C64—H64 | 0.9500 |
| Li1—Li4 | 2.65 (2) | C65—C66 | 1.369 (14) |
| Li1—Li3 | 2.70 (2) | C65—H65 | 0.9500 |
| Li2—O1 | 1.955 (14) | C66—H66 | 0.9500 |
| Li2—O3 | 1.995 (15) | O4—B4 | 1.339 (10) |
| Li2—O2 | 2.005 (15) | B4—C71 | 1.572 (13) |
| Li2—O200 | 2.050 (14) | B4—C81 | 1.566 (16) |
| Li2—Li4 | 2.67 (2) | O41—C72 | 1.378 (14) |
| Li2—Li3 | 2.673 (18) | O41—C82 | 1.383 (14) |
| Li3—O3 | 1.938 (16) | C71—C72 | 1.397 (15) |
| Li3—O300 | 2.001 (16) | C71—C76 | 1.413 (15) |
| Li3—O2 | 2.031 (15) | C72—C73 | 1.473 (15) |
| Li3—O4 | 2.055 (16) | C73—C74 | 1.40 (2) |
| Li3—Li4 | 2.689 (19) | C73—H73 | 0.9500 |
| Li4—O4 | 1.953 (15) | C74—C75 | 1.296 (19) |
| Li4—O1 | 1.991 (16) | C74—H74 | 0.9500 |
| Li4—O3 | 2.058 (16) | C75—C76 | 1.400 (14) |
| Li4—O400 | 2.079 (17) | C75—H75 | 0.9500 |
| O1—B1 | 1.367 (13) | C76—H76 | 0.9500 |
| B1—C21 | 1.518 (14) | C81—C86 | 1.370 (16) |
| B1—C11 | 1.532 (14) | C81—C82 | 1.455 (14) |
| O11—C22 | 1.376 (11) | C82—C83 | 1.304 (19) |
| O11—C12 | 1.392 (11) | C83—C84 | 1.42 (2) |
| C11—C12 | 1.435 (11) | C83—H83 | 0.9500 |
| C11—C16 | 1.450 (13) | C84—C85 | 1.381 (18) |
| C12—C13 | 1.379 (14) | C84—H84 | 0.9500 |
| C13—C14 | 1.389 (16) | C85—C86 | 1.405 (15) |
| C13—H13 | 0.9500 | C85—H85 | 0.9500 |
| C14—C15 | 1.394 (14) | C86—H86 | 0.9500 |
| C14—H14 | 0.9500 | O100—C103 | 1.431 (13) |
| C15—C16 | 1.394 (13) | O100—C101 | 1.444 (12) |
| C15—H15 | 0.9500 | C101—C102 | 1.496 (9) |
| C16—H16 | 0.9500 | C101—H10A | 0.9900 |
| C21—C22 | 1.416 (11) | C101—H10B | 0.9900 |
| C21—C26 | 1.430 (14) | C102—H10C | 0.9800 |
| C22—C23 | 1.375 (13) | C102—H10D | 0.9800 |
| C23—C24 | 1.360 (16) | C102—H10E | 0.9800 |
| C23—H23 | 0.9500 | C103—C104 | 1.503 (8) |
| C24—C25 | 1.431 (14) | C103—H10F | 0.9900 |
| C24—H24 | 0.9500 | C103—H10G | 0.9900 |
| C25—C26 | 1.358 (14) | C104—H10H | 0.9800 |
| C25—H25 | 0.9500 | C104—H10I | 0.9800 |
| C26—H26 | 0.9500 | C104—H10J | 0.9800 |
| O2—B2 | 1.322 (12) | O200—C203 | 1.412 (13) |
| B2—C31 | 1.602 (15) | O200—C201 | 1.456 (12) |
| B2—C41 | 1.608 (14) | C201—C202 | 1.506 (8) |
| O21—C32 | 1.370 (11) | C201—H20A | 0.9900 |
| O21—C42 | 1.367 (13) | C201—H20B | 0.9900 |
| C31—C32 | 1.293 (13) | C202—H20C | 0.9800 |
| C31—C36 | 1.388 (14) | C202—H20D | 0.9800 |
| C32—C33 | 1.472 (15) | C202—H20E | 0.9800 |
| C33—C34 | 1.375 (17) | C203—C204 | 1.515 (9) |
| C33—H33 | 0.9500 | C203—H20F | 0.9900 |
| C34—C35 | 1.379 (15) | C203—H20G | 0.9900 |
| C34—H34 | 0.9500 | C204—H20H | 0.9800 |
| C35—C36 | 1.373 (14) | C204—H20I | 0.9800 |
| C35—H35 | 0.9500 | C204—H20J | 0.9800 |
| C36—H36 | 0.9500 | O300—C301 | 1.425 (14) |
| C41—C46 | 1.368 (14) | O300—C303 | 1.487 (13) |
| C41—C42 | 1.401 (13) | C301—C302 | 1.496 (8) |
| C42—C43 | 1.409 (14) | C301—H30A | 0.9900 |
| C43—C44 | 1.328 (16) | C301—H30B | 0.9900 |
| C43—H43 | 0.9500 | C302—H30C | 0.9800 |
| C44—C45 | 1.394 (15) | C302—H30D | 0.9800 |
| C44—H44 | 0.9500 | C302—H30E | 0.9800 |
| C45—C46 | 1.395 (15) | C303—C304 | 1.499 (8) |
| C45—H45 | 0.9500 | C303—H30F | 0.9900 |
| C46—H46 | 0.9500 | C303—H30G | 0.9900 |
| O3—B3 | 1.322 (11) | C304—H30H | 0.9800 |
| B3—C61 | 1.569 (14) | C304—H30I | 0.9800 |
| B3—C51 | 1.589 (15) | C304—H30J | 0.9800 |
| O31—C52 | 1.381 (12) | O400—C403 | 1.422 (12) |
| O31—C62 | 1.400 (12) | O400—C401 | 1.429 (12) |
| C51—C52 | 1.367 (13) | C401—C402 | 1.505 (8) |
| C51—C56 | 1.409 (14) | C401—H40A | 0.9900 |
| C52—C53 | 1.360 (13) | C401—H40B | 0.9900 |
| C53—C54 | 1.29 (2) | C402—H40C | 0.9800 |
| C53—H53 | 0.9500 | C402—H40D | 0.9800 |
| C54—C55 | 1.44 (2) | C402—H40E | 0.9800 |
| C54—H54 | 0.9500 | C403—C404 | 1.495 (8) |
| C55—C56 | 1.422 (13) | C403—H40F | 0.9900 |
| C55—H55 | 0.9500 | C403—H40G | 0.9900 |
| C56—H56 | 0.9500 | C404—H40H | 0.9800 |
| C61—C62 | 1.402 (14) | C404—H40I | 0.9800 |
| C61—C66 | 1.447 (13) | C404—H40J | 0.9800 |
| O2—Li1—O1 | 99.0 (7) | C56—C51—B3 | 122.0 (8) |
| O2—Li1—O100 | 124.7 (7) | C51—C52—C53 | 124.1 (10) |
| O1—Li1—O100 | 114.2 (7) | C51—C52—O31 | 122.9 (8) |
| O2—Li1—O4 | 96.9 (7) | C53—C52—O31 | 112.9 (8) |
| O1—Li1—O4 | 95.1 (6) | C54—C53—C52 | 120.1 (11) |
| O100—Li1—O4 | 121.1 (8) | C54—C53—H53 | 119.9 |
| O2—Li1—Li2 | 50.5 (5) | C52—C53—H53 | 119.9 |
| O1—Li1—Li2 | 48.8 (5) | C53—C54—C55 | 122.9 (11) |
| O100—Li1—Li2 | 142.5 (8) | C53—C54—H54 | 118.5 |
| O4—Li1—Li2 | 95.5 (7) | C55—C54—H54 | 118.5 |
| O2—Li1—Li4 | 96.9 (7) | C56—C55—C54 | 115.0 (11) |
| O1—Li1—Li4 | 48.4 (4) | C56—C55—H55 | 122.5 |
| O100—Li1—Li4 | 138.3 (8) | C54—C55—H55 | 122.5 |
| O4—Li1—Li4 | 47.1 (4) | C51—C56—C55 | 121.7 (10) |
| Li2—Li1—Li4 | 61.6 (6) | C51—C56—H56 | 119.2 |
| O2—Li1—Li3 | 48.5 (4) | C55—C56—H56 | 119.2 |
| O1—Li1—Li3 | 94.7 (7) | C62—C61—C66 | 115.1 (8) |
| O100—Li1—Li3 | 150.9 (7) | C62—C61—B3 | 121.5 (8) |
| O4—Li1—Li3 | 48.9 (4) | C66—C61—B3 | 123.4 (8) |
| Li2—Li1—Li3 | 60.9 (6) | C63—C62—C61 | 122.9 (9) |
| Li4—Li1—Li3 | 60.3 (5) | C63—C62—O31 | 115.1 (9) |
| O1—Li2—O3 | 97.3 (6) | C61—C62—O31 | 121.9 (9) |
| O1—Li2—O2 | 97.6 (7) | C62—C63—C64 | 120.2 (10) |
| O3—Li2—O2 | 94.9 (6) | C62—C63—H63 | 119.9 |
| O1—Li2—O200 | 122.8 (7) | C64—C63—H63 | 119.9 |
| O3—Li2—O200 | 121.8 (8) | C63—C64—C65 | 118.7 (10) |
| O2—Li2—O200 | 116.5 (7) | C63—C64—H64 | 120.6 |
| O1—Li2—Li1 | 49.8 (5) | C65—C64—H64 | 120.6 |
| O3—Li2—Li1 | 95.6 (6) | C66—C65—C64 | 121.2 (10) |
| O2—Li2—Li1 | 48.0 (5) | C66—C65—H65 | 119.4 |
| O200—Li2—Li1 | 142.2 (8) | C64—C65—H65 | 119.4 |
| O1—Li2—Li4 | 48.0 (5) | C65—C66—C61 | 121.7 (9) |
| O3—Li2—Li4 | 49.8 (4) | C65—C66—H66 | 119.1 |
| O2—Li2—Li4 | 94.2 (6) | C61—C66—H66 | 119.1 |
| O200—Li2—Li4 | 149.2 (7) | B4—O4—Li4 | 144.8 (8) |
| Li1—Li2—Li4 | 60.6 (6) | B4—O4—Li1 | 121.4 (7) |
| O1—Li2—Li3 | 96.5 (6) | Li4—O4—Li1 | 83.0 (6) |
| O3—Li2—Li3 | 46.3 (4) | B4—O4—Li3 | 121.1 (7) |
| O2—Li2—Li3 | 48.9 (5) | Li4—O4—Li3 | 84.2 (6) |
| O200—Li2—Li3 | 140.7 (7) | Li1—O4—Li3 | 82.7 (7) |
| Li1—Li2—Li3 | 62.0 (6) | O4—B4—C71 | 124.5 (8) |
| Li4—Li2—Li3 | 60.4 (5) | O4—B4—C81 | 121.9 (9) |
| O3—Li3—O300 | 129.4 (9) | C71—B4—C81 | 113.5 (8) |
| O3—Li3—O2 | 95.8 (6) | C72—O41—C82 | 121.2 (8) |
| O300—Li3—O2 | 118.8 (7) | C72—C71—C76 | 117.3 (9) |
| O3—Li3—O4 | 95.7 (6) | C72—C71—B4 | 117.4 (9) |
| O300—Li3—O4 | 116.1 (7) | C76—C71—B4 | 125.2 (8) |
| O2—Li3—O4 | 93.3 (7) | O41—C72—C71 | 125.9 (9) |
| O3—Li3—Li2 | 48.1 (5) | O41—C72—C73 | 114.3 (11) |
| O300—Li3—Li2 | 151.0 (7) | C71—C72—C73 | 119.8 (12) |
| O2—Li3—Li2 | 48.1 (5) | C74—C73—C72 | 117.5 (12) |
| O4—Li3—Li2 | 92.0 (6) | C74—C73—H73 | 121.3 |
| O3—Li3—Li4 | 49.6 (5) | C72—C73—H73 | 121.3 |
| O300—Li3—Li4 | 146.3 (7) | C75—C74—C73 | 122.6 (11) |
| O2—Li3—Li4 | 93.1 (7) | C75—C74—H74 | 118.7 |
| O4—Li3—Li4 | 46.3 (4) | C73—C74—H74 | 118.7 |
| Li2—Li3—Li4 | 59.8 (5) | C74—C75—C76 | 121.3 (13) |
| O3—Li3—Li1 | 92.8 (6) | C74—C75—H75 | 119.3 |
| O300—Li3—Li1 | 137.8 (8) | C76—C75—H75 | 119.3 |
| O2—Li3—Li1 | 45.5 (5) | C75—C76—C71 | 121.4 (11) |
| O4—Li3—Li1 | 48.4 (5) | C75—C76—H76 | 119.3 |
| Li2—Li3—Li1 | 57.1 (5) | C71—C76—H76 | 119.3 |
| Li4—Li3—Li1 | 58.8 (6) | C86—C81—C82 | 113.9 (10) |
| O4—Li4—O1 | 97.6 (8) | C86—C81—B4 | 126.5 (9) |
| O4—Li4—O3 | 95.1 (6) | C82—C81—B4 | 119.6 (10) |
| O1—Li4—O3 | 94.1 (7) | C83—C82—O41 | 115.3 (11) |
| O4—Li4—O400 | 126.3 (8) | C83—C82—C81 | 123.7 (13) |
| O1—Li4—O400 | 122.0 (6) | O41—C82—C81 | 120.9 (10) |
| O3—Li4—O400 | 114.4 (8) | C82—C83—C84 | 118.7 (12) |
| O4—Li4—Li1 | 49.8 (5) | C82—C83—H83 | 120.7 |
| O1—Li4—Li1 | 48.2 (5) | C84—C83—H83 | 120.7 |
| O3—Li4—Li1 | 91.8 (7) | C85—C84—C83 | 122.7 (12) |
| O400—Li4—Li1 | 153.6 (8) | C85—C84—H84 | 118.6 |
| O4—Li4—Li2 | 94.4 (7) | C83—C84—H84 | 118.6 |
| O1—Li4—Li2 | 46.8 (5) | C84—C85—C86 | 114.8 (12) |
| O3—Li4—Li2 | 47.7 (5) | C84—C85—H85 | 122.6 |
| O400—Li4—Li2 | 138.8 (7) | C86—C85—H85 | 122.6 |
| Li1—Li4—Li2 | 57.8 (6) | C81—C86—C85 | 126.1 (11) |
| O4—Li4—Li3 | 49.5 (5) | C81—C86—H86 | 117.0 |
| O1—Li4—Li3 | 95.1 (7) | C85—C86—H86 | 117.0 |
| O3—Li4—Li3 | 45.8 (5) | C103—O100—C101 | 117.1 (7) |
| O400—Li4—Li3 | 141.2 (8) | C103—O100—Li1 | 128.4 (7) |
| Li1—Li4—Li3 | 60.9 (6) | C101—O100—Li1 | 114.3 (7) |
| Li2—Li4—Li3 | 59.8 (5) | O100—C101—C102 | 113.6 (10) |
| B1—O1—Li2 | 145.9 (7) | O100—C101—H10A | 108.8 |
| B1—O1—Li1 | 123.7 (7) | C102—C101—H10A | 108.8 |
| Li2—O1—Li1 | 81.4 (6) | O100—C101—H10B | 108.8 |
| B1—O1—Li4 | 117.6 (7) | C102—C101—H10B | 108.8 |
| Li2—O1—Li4 | 85.2 (6) | H10A—C101—H10B | 107.7 |
| Li1—O1—Li4 | 83.4 (6) | C101—C102—H10C | 109.5 |
| O1—B1—C21 | 125.5 (9) | C101—C102—H10D | 109.5 |
| O1—B1—C11 | 122.4 (9) | H10C—C102—H10D | 109.5 |
| C21—B1—C11 | 112.1 (9) | C101—C102—H10E | 109.5 |
| C22—O11—C12 | 122.4 (7) | H10C—C102—H10E | 109.5 |
| C12—C11—C16 | 112.8 (8) | H10D—C102—H10E | 109.5 |
| C12—C11—B1 | 122.2 (8) | O100—C103—C104 | 114.4 (10) |
| C16—C11—B1 | 125.0 (8) | O100—C103—H10F | 108.7 |
| C13—C12—O11 | 115.7 (8) | C104—C103—H10F | 108.7 |
| C13—C12—C11 | 125.0 (9) | O100—C103—H10G | 108.7 |
| O11—C12—C11 | 119.4 (8) | C104—C103—H10G | 108.7 |
| C14—C13—C12 | 118.8 (9) | H10F—C103—H10G | 107.6 |
| C14—C13—H13 | 120.6 | C103—C104—H10H | 109.5 |
| C12—C13—H13 | 120.6 | C103—C104—H10I | 109.5 |
| C13—C14—C15 | 120.9 (9) | H10H—C104—H10I | 109.5 |
| C13—C14—H14 | 119.5 | C103—C104—H10J | 109.5 |
| C15—C14—H14 | 119.5 | H10H—C104—H10J | 109.5 |
| C14—C15—C16 | 119.5 (10) | H10I—C104—H10J | 109.5 |
| C14—C15—H15 | 120.2 | C203—O200—C201 | 112.0 (7) |
| C16—C15—H15 | 120.2 | C203—O200—Li2 | 124.1 (8) |
| C15—C16—C11 | 122.9 (9) | C201—O200—Li2 | 120.6 (7) |
| C15—C16—H16 | 118.5 | O200—C201—C202 | 109.8 (8) |
| C11—C16—H16 | 118.5 | O200—C201—H20A | 109.7 |
| C22—C21—C26 | 112.5 (8) | C202—C201—H20A | 109.7 |
| C22—C21—B1 | 121.2 (9) | O200—C201—H20B | 109.7 |
| C26—C21—B1 | 126.2 (8) | C202—C201—H20B | 109.7 |
| O11—C22—C23 | 113.2 (7) | H20A—C201—H20B | 108.2 |
| O11—C22—C21 | 122.0 (8) | C201—C202—H20C | 109.5 |
| C23—C22—C21 | 124.8 (9) | C201—C202—H20D | 109.5 |
| C24—C23—C22 | 117.6 (9) | H20C—C202—H20D | 109.5 |
| C24—C23—H23 | 121.2 | C201—C202—H20E | 109.5 |
| C22—C23—H23 | 121.2 | H20C—C202—H20E | 109.5 |
| C23—C24—C25 | 123.6 (10) | H20D—C202—H20E | 109.5 |
| C23—C24—H24 | 118.2 | O200—C203—C204 | 108.5 (9) |
| C25—C24—H24 | 118.2 | O200—C203—H20F | 110.0 |
| C26—C25—C24 | 114.8 (10) | C204—C203—H20F | 110.0 |
| C26—C25—H25 | 122.6 | O200—C203—H20G | 110.0 |
| C24—C25—H25 | 122.6 | C204—C203—H20G | 110.0 |
| C25—C26—C21 | 126.6 (9) | H20F—C203—H20G | 108.4 |
| C25—C26—H26 | 116.7 | C203—C204—H20H | 109.5 |
| C21—C26—H26 | 116.7 | C203—C204—H20I | 109.5 |
| B2—O2—Li1 | 145.6 (7) | H20H—C204—H20I | 109.5 |
| B2—O2—Li2 | 117.6 (7) | C203—C204—H20J | 109.5 |
| Li1—O2—Li2 | 81.5 (6) | H20H—C204—H20J | 109.5 |
| B2—O2—Li3 | 122.7 (7) | H20I—C204—H20J | 109.5 |
| Li1—O2—Li3 | 86.0 (6) | C301—O300—C303 | 108.9 (8) |
| Li2—O2—Li3 | 83.0 (6) | C301—O300—Li3 | 126.8 (8) |
| O2—B2—C31 | 125.8 (9) | C303—O300—Li3 | 121.4 (7) |
| O2—B2—C41 | 124.0 (9) | C302—C301—O300 | 109.1 (10) |
| C31—B2—C41 | 110.2 (8) | C302—C301—H30A | 109.9 |
| C32—O21—C42 | 118.8 (7) | O300—C301—H30A | 109.9 |
| C32—C31—C36 | 118.8 (9) | C302—C301—H30B | 109.9 |
| C32—C31—B2 | 120.2 (9) | O300—C301—H30B | 109.9 |
| C36—C31—B2 | 121.0 (9) | H30A—C301—H30B | 108.3 |
| C31—C32—O21 | 127.3 (9) | C301—C302—H30C | 109.5 |
| C31—C32—C33 | 122.2 (9) | C301—C302—H30D | 109.5 |
| O21—C32—C33 | 110.6 (8) | H30C—C302—H30D | 109.5 |
| C34—C33—C32 | 117.2 (10) | C301—C302—H30E | 109.5 |
| C34—C33—H33 | 121.4 | H30C—C302—H30E | 109.5 |
| C32—C33—H33 | 121.4 | H30D—C302—H30E | 109.5 |
| C35—C34—C33 | 120.1 (10) | C304—C303—O300 | 116.5 (9) |
| C35—C34—H34 | 120.0 | C304—C303—H30F | 108.2 |
| C33—C34—H34 | 120.0 | O300—C303—H30F | 108.2 |
| C36—C35—C34 | 119.5 (10) | C304—C303—H30G | 108.2 |
| C36—C35—H35 | 120.2 | O300—C303—H30G | 108.2 |
| C34—C35—H35 | 120.2 | H30F—C303—H30G | 107.3 |
| C35—C36—C31 | 122.1 (9) | C303—C304—H30H | 109.5 |
| C35—C36—H36 | 118.9 | C303—C304—H30I | 109.5 |
| C31—C36—H36 | 118.9 | H30H—C304—H30I | 109.5 |
| C46—C41—C42 | 117.7 (9) | C303—C304—H30J | 109.5 |
| C46—C41—B2 | 124.8 (9) | H30H—C304—H30J | 109.5 |
| C42—C41—B2 | 117.4 (9) | H30I—C304—H30J | 109.5 |
| O21—C42—C41 | 125.1 (9) | C403—O400—C401 | 112.1 (7) |
| O21—C42—C43 | 115.7 (9) | C403—O400—Li4 | 121.4 (7) |
| C41—C42—C43 | 119.1 (10) | C401—O400—Li4 | 124.1 (7) |
| C44—C43—C42 | 122.0 (10) | O400—C401—C402 | 112.7 (8) |
| C44—C43—H43 | 119.0 | O400—C401—H40A | 109.1 |
| C42—C43—H43 | 119.0 | C402—C401—H40A | 109.1 |
| C43—C44—C45 | 120.1 (10) | O400—C401—H40B | 109.1 |
| C43—C44—H44 | 120.0 | C402—C401—H40B | 109.1 |
| C45—C44—H44 | 120.0 | H40A—C401—H40B | 107.8 |
| C44—C45—C46 | 118.4 (11) | C401—C402—H40C | 109.5 |
| C44—C45—H45 | 120.8 | C401—C402—H40D | 109.5 |
| C46—C45—H45 | 120.8 | H40C—C402—H40D | 109.5 |
| C41—C46—C45 | 122.6 (10) | C401—C402—H40E | 109.5 |
| C41—C46—H46 | 118.7 | H40C—C402—H40E | 109.5 |
| C45—C46—H46 | 118.7 | H40D—C402—H40E | 109.5 |
| B3—O3—Li3 | 141.3 (8) | O400—C403—C404 | 112.4 (9) |
| B3—O3—Li2 | 123.0 (7) | O400—C403—H40F | 109.1 |
| Li3—O3—Li2 | 85.6 (6) | C404—C403—H40F | 109.1 |
| B3—O3—Li4 | 121.5 (7) | O400—C403—H40G | 109.1 |
| Li3—O3—Li4 | 84.5 (6) | C404—C403—H40G | 109.1 |
| Li2—O3—Li4 | 82.5 (6) | H40F—C403—H40G | 107.9 |
| O3—B3—C61 | 122.9 (9) | C403—C404—H40H | 109.5 |
| O3—B3—C51 | 127.5 (9) | C403—C404—H40I | 109.5 |
| C61—B3—C51 | 109.6 (8) | H40H—C404—H40I | 109.5 |
| C52—O31—C62 | 121.3 (7) | C403—C404—H40J | 109.5 |
| C52—C51—C56 | 116.0 (9) | H40H—C404—H40J | 109.5 |
| C52—C51—B3 | 122.0 (8) | H40I—C404—H40J | 109.5 |
| O2—Li1—Li2—O1 | −173.6 (7) | O200—Li2—O2—Li1 | 137.6 (8) |
| O100—Li1—Li2—O1 | −75.7 (12) | Li4—Li2—O2—Li1 | −43.2 (5) |
| O4—Li1—Li2—O1 | 92.0 (6) | Li3—Li2—O2—Li1 | −87.0 (6) |
| Li4—Li1—Li2—O1 | 58.0 (5) | O1—Li2—O2—Li3 | 91.9 (6) |
| Li3—Li1—Li2—O1 | 127.9 (6) | O3—Li2—O2—Li3 | −6.1 (6) |
| O2—Li1—Li2—O3 | 91.5 (6) | O200—Li2—O2—Li3 | −135.4 (8) |
| O1—Li1—Li2—O3 | −94.9 (6) | Li1—Li2—O2—Li3 | 87.0 (6) |
| O100—Li1—Li2—O3 | −170.5 (11) | Li4—Li2—O2—Li3 | 43.8 (6) |
| O4—Li1—Li2—O3 | −2.9 (6) | O3—Li3—O2—B2 | −112.1 (8) |
| Li4—Li1—Li2—O3 | −36.9 (5) | O300—Li3—O2—B2 | 29.6 (13) |
| Li3—Li1—Li2—O3 | 33.1 (5) | O4—Li3—O2—B2 | 151.8 (7) |
| O1—Li1—Li2—O2 | 173.6 (7) | Li2—Li3—O2—B2 | −118.4 (9) |
| O100—Li1—Li2—O2 | 97.9 (12) | Li4—Li3—O2—B2 | −161.8 (8) |
| O4—Li1—Li2—O2 | −94.4 (6) | Li1—Li3—O2—B2 | 159.7 (9) |
| Li4—Li1—Li2—O2 | −128.4 (6) | O3—Li3—O2—Li1 | 88.2 (7) |
| Li3—Li1—Li2—O2 | −58.5 (5) | O300—Li3—O2—Li1 | −130.1 (9) |
| O2—Li1—Li2—O200 | −79.7 (11) | O4—Li3—O2—Li1 | −7.9 (6) |
| O1—Li1—Li2—O200 | 93.9 (11) | Li2—Li3—O2—Li1 | 81.9 (6) |
| O100—Li1—Li2—O200 | 18.2 (19) | Li4—Li3—O2—Li1 | 38.5 (6) |
| O4—Li1—Li2—O200 | −174.1 (9) | O3—Li3—O2—Li2 | 6.3 (6) |
| Li4—Li1—Li2—O200 | 151.9 (11) | O300—Li3—O2—Li2 | 147.9 (9) |
| Li3—Li1—Li2—O200 | −138.2 (12) | O4—Li3—O2—Li2 | −89.8 (6) |
| O2—Li1—Li2—Li4 | 128.4 (6) | Li4—Li3—O2—Li2 | −43.4 (6) |
| O1—Li1—Li2—Li4 | −58.0 (5) | Li1—Li3—O2—Li2 | −81.9 (6) |
| O100—Li1—Li2—Li4 | −133.7 (12) | Li1—O2—B2—C31 | −164.6 (9) |
| O4—Li1—Li2—Li4 | 34.0 (5) | Li2—O2—B2—C31 | −46.7 (11) |
| Li3—Li1—Li2—Li4 | 69.9 (5) | Li3—O2—B2—C31 | 53.2 (12) |
| O2—Li1—Li2—Li3 | 58.5 (5) | Li1—O2—B2—C41 | 15.8 (17) |
| O1—Li1—Li2—Li3 | −127.9 (6) | Li2—O2—B2—C41 | 133.6 (9) |
| O100—Li1—Li2—Li3 | 156.4 (12) | Li3—O2—B2—C41 | −126.5 (9) |
| O4—Li1—Li2—Li3 | −35.9 (5) | O2—B2—C31—C32 | 171.5 (9) |
| Li4—Li1—Li2—Li3 | −69.9 (5) | C41—B2—C31—C32 | −8.8 (11) |
| O1—Li2—Li3—O3 | 94.0 (7) | O2—B2—C31—C36 | −7.0 (14) |
| O2—Li2—Li3—O3 | −171.5 (8) | C41—B2—C31—C36 | 172.7 (8) |
| O200—Li2—Li3—O3 | −88.9 (13) | C36—C31—C32—O21 | −179.2 (9) |
| Li1—Li2—Li3—O3 | 131.3 (7) | B2—C31—C32—O21 | 2.3 (14) |
| Li4—Li2—Li3—O3 | 61.0 (6) | C36—C31—C32—C33 | 1.2 (14) |
| O1—Li2—Li3—O300 | −168.0 (16) | B2—C31—C32—C33 | −177.2 (8) |
| O3—Li2—Li3—O300 | 98.0 (19) | C42—O21—C32—C31 | 7.2 (14) |
| O2—Li2—Li3—O300 | −73.5 (17) | C42—O21—C32—C33 | −173.2 (8) |
| O200—Li2—Li3—O300 | 9(3) | C31—C32—C33—C34 | −3.7 (15) |
| Li1—Li2—Li3—O300 | −130.7 (18) | O21—C32—C33—C34 | 176.7 (9) |
| Li4—Li2—Li3—O300 | 159.0 (19) | C32—C33—C34—C35 | 2.7 (15) |
| O1—Li2—Li3—O2 | −94.5 (7) | C33—C34—C35—C36 | 0.5 (16) |
| O3—Li2—Li3—O2 | 171.5 (8) | C34—C35—C36—C31 | −3.2 (16) |
| O200—Li2—Li3—O2 | 82.6 (13) | C32—C31—C36—C35 | 2.3 (15) |
| Li1—Li2—Li3—O2 | −57.2 (5) | B2—C31—C36—C35 | −179.3 (9) |
| Li4—Li2—Li3—O2 | −127.4 (8) | O2—B2—C41—C46 | 10.3 (14) |
| O1—Li2—Li3—O4 | −1.9 (7) | C31—B2—C41—C46 | −169.4 (9) |
| O3—Li2—Li3—O4 | −95.9 (6) | O2—B2—C41—C42 | −173.5 (9) |
| O2—Li2—Li3—O4 | 92.6 (7) | C31—B2—C41—C42 | 6.8 (11) |
| O200—Li2—Li3—O4 | 175.2 (11) | C32—O21—C42—C41 | −9.1 (13) |
| Li1—Li2—Li3—O4 | 35.4 (6) | C32—O21—C42—C43 | 171.5 (8) |
| Li4—Li2—Li3—O4 | −34.8 (5) | C46—C41—C42—O21 | 178.0 (9) |
| O1—Li2—Li3—Li4 | 32.9 (6) | B2—C41—C42—O21 | 1.6 (13) |
| O3—Li2—Li3—Li4 | −61.0 (6) | C46—C41—C42—C43 | −2.6 (14) |
| O2—Li2—Li3—Li4 | 127.4 (8) | B2—C41—C42—C43 | −179.1 (8) |
| O200—Li2—Li3—Li4 | −150.0 (13) | O21—C42—C43—C44 | −179.7 (9) |
| Li1—Li2—Li3—Li4 | 70.2 (6) | C41—C42—C43—C44 | 0.9 (14) |
| O1—Li2—Li3—Li1 | −37.3 (5) | C42—C43—C44—C45 | 1.1 (16) |
| O3—Li2—Li3—Li1 | −131.3 (7) | C43—C44—C45—C46 | −1.4 (16) |
| O2—Li2—Li3—Li1 | 57.2 (5) | C42—C41—C46—C45 | 2.4 (15) |
| O200—Li2—Li3—Li1 | 139.8 (14) | B2—C41—C46—C45 | 178.6 (9) |
| Li4—Li2—Li3—Li1 | −70.2 (6) | C44—C45—C46—C41 | −0.4 (16) |
| O2—Li1—Li3—O3 | −95.4 (7) | O300—Li3—O3—B3 | −0.5 (17) |
| O1—Li1—Li3—O3 | 2.5 (7) | O2—Li3—O3—B3 | 134.7 (10) |
| O100—Li1—Li3—O3 | 176.0 (15) | O4—Li3—O3—B3 | −131.3 (10) |
| O4—Li1—Li3—O3 | 95.1 (6) | Li2—Li3—O3—B3 | 141.1 (12) |
| Li2—Li1—Li3—O3 | −34.0 (5) | Li4—Li3—O3—B3 | −136.1 (12) |
| Li4—Li1—Li3—O3 | 38.0 (5) | Li1—Li3—O3—B3 | −179.8 (10) |
| O2—Li1—Li3—O300 | 85.5 (10) | O300—Li3—O3—Li2 | −141.6 (9) |
| O1—Li1—Li3—O300 | −176.6 (9) | O2—Li3—O3—Li2 | −6.3 (6) |
| O100—Li1—Li3—O300 | −3(2) | O4—Li3—O3—Li2 | 87.6 (7) |
| O4—Li1—Li3—O300 | −84.0 (10) | Li4—Li3—O3—Li2 | 82.8 (6) |
| Li2—Li1—Li3—O300 | 146.8 (10) | Li1—Li3—O3—Li2 | 39.2 (6) |
| Li4—Li1—Li3—O300 | −141.1 (11) | O300—Li3—O3—Li4 | 135.6 (10) |
| O1—Li1—Li3—O2 | 97.9 (7) | O2—Li3—O3—Li4 | −89.2 (7) |
| O100—Li1—Li3—O2 | −88.6 (16) | O4—Li3—O3—Li4 | 4.8 (6) |
| O4—Li1—Li3—O2 | −169.5 (8) | Li2—Li3—O3—Li4 | −82.8 (6) |
| Li2—Li1—Li3—O2 | 61.3 (5) | Li1—Li3—O3—Li4 | −43.7 (6) |
| Li4—Li1—Li3—O2 | 133.4 (7) | O1—Li2—O3—B3 | 116.0 (8) |
| O2—Li1—Li3—O4 | 169.5 (8) | O2—Li2—O3—B3 | −145.6 (8) |
| O1—Li1—Li3—O4 | −92.7 (6) | O200—Li2—O3—B3 | −20.2 (12) |
| O100—Li1—Li3—O4 | 80.9 (16) | Li1—Li2—O3—B3 | 166.1 (8) |
| Li2—Li1—Li3—O4 | −129.2 (7) | Li4—Li2—O3—B3 | 122.9 (9) |
| Li4—Li1—Li3—O4 | −57.2 (5) | Li3—Li2—O3—B3 | −152.1 (10) |
| O2—Li1—Li3—Li2 | −61.3 (5) | O1—Li2—O3—Li3 | −92.0 (7) |
| O1—Li1—Li3—Li2 | 36.5 (5) | O2—Li2—O3—Li3 | 6.4 (6) |
| O100—Li1—Li3—Li2 | −149.9 (17) | O200—Li2—O3—Li3 | 131.9 (8) |
| O4—Li1—Li3—Li2 | 129.2 (7) | Li1—Li2—O3—Li3 | −41.8 (6) |
| Li4—Li1—Li3—Li2 | 72.0 (6) | Li4—Li2—O3—Li3 | −85.0 (6) |
| O2—Li1—Li3—Li4 | −133.4 (7) | O1—Li2—O3—Li4 | −6.9 (6) |
| O1—Li1—Li3—Li4 | −35.5 (6) | O2—Li2—O3—Li4 | 91.4 (7) |
| O100—Li1—Li3—Li4 | 138.1 (17) | O200—Li2—O3—Li4 | −143.1 (8) |
| O4—Li1—Li3—Li4 | 57.2 (5) | Li1—Li2—O3—Li4 | 43.2 (6) |
| Li2—Li1—Li3—Li4 | −72.0 (6) | Li3—Li2—O3—Li4 | 85.0 (6) |
| O2—Li1—Li4—O4 | 93.1 (7) | O4—Li4—O3—B3 | 144.4 (7) |
| O1—Li1—Li4—O4 | −170.9 (9) | O1—Li4—O3—B3 | −117.5 (8) |
| O100—Li1—Li4—O4 | −90.9 (11) | O400—Li4—O3—B3 | 10.5 (10) |
| Li2—Li1—Li4—O4 | 130.6 (7) | Li1—Li4—O3—B3 | −165.8 (7) |
| Li3—Li1—Li4—O4 | 59.8 (5) | Li2—Li4—O3—B3 | −124.3 (8) |
| O2—Li1—Li4—O1 | −96.0 (7) | Li3—Li4—O3—B3 | 149.4 (8) |
| O100—Li1—Li4—O1 | 80.0 (11) | O4—Li4—O3—Li3 | −5.0 (7) |
| O4—Li1—Li4—O1 | 170.9 (9) | O1—Li4—O3—Li3 | 93.1 (7) |
| Li2—Li1—Li4—O1 | −58.5 (5) | O400—Li4—O3—Li3 | −138.9 (8) |
| Li3—Li1—Li4—O1 | −129.3 (8) | Li1—Li4—O3—Li3 | 44.8 (6) |
| O2—Li1—Li4—O3 | −2.1 (6) | Li2—Li4—O3—Li3 | 86.3 (6) |
| O1—Li1—Li4—O3 | 93.9 (7) | O4—Li4—O3—Li2 | −91.3 (7) |
| O100—Li1—Li4—O3 | 173.9 (10) | O1—Li4—O3—Li2 | 6.8 (6) |
| O4—Li1—Li4—O3 | −95.2 (6) | O400—Li4—O3—Li2 | 134.8 (7) |
| Li2—Li1—Li4—O3 | 35.4 (5) | Li1—Li4—O3—Li2 | −41.5 (5) |
| Li3—Li1—Li4—O3 | −35.4 (5) | Li3—Li4—O3—Li2 | −86.3 (6) |
| O2—Li1—Li4—O400 | −174.5 (15) | Li3—O3—B3—C61 | 171.5 (9) |
| O1—Li1—Li4—O400 | −78.4 (16) | Li2—O3—B3—C61 | −56.9 (12) |
| O100—Li1—Li4—O400 | 2(2) | Li4—O3—B3—C61 | 45.6 (11) |
| O4—Li1—Li4—O400 | 92.5 (17) | Li3—O3—B3—C51 | −9.9 (16) |
| Li2—Li1—Li4—O400 | −137.0 (16) | Li2—O3—B3—C51 | 121.7 (9) |
| Li3—Li1—Li4—O400 | 152.3 (17) | Li4—O3—B3—C51 | −135.8 (9) |
| O2—Li1—Li4—Li2 | −37.5 (5) | O3—B3—C51—C52 | 174.5 (8) |
| O1—Li1—Li4—Li2 | 58.5 (5) | C61—B3—C51—C52 | −6.8 (11) |
| O100—Li1—Li4—Li2 | 138.5 (12) | O3—B3—C51—C56 | −5.3 (14) |
| O4—Li1—Li4—Li2 | −130.6 (7) | C61—B3—C51—C56 | 173.4 (8) |
| Li3—Li1—Li4—Li2 | −70.8 (6) | C56—C51—C52—C53 | −2.1 (13) |
| O2—Li1—Li4—Li3 | 33.3 (5) | B3—C51—C52—C53 | 178.1 (8) |
| O1—Li1—Li4—Li3 | 129.3 (8) | C56—C51—C52—O31 | −179.4 (8) |
| O100—Li1—Li4—Li3 | −150.7 (11) | B3—C51—C52—O31 | 0.7 (12) |
| O4—Li1—Li4—Li3 | −59.8 (5) | C62—O31—C52—C51 | 7.2 (11) |
| Li2—Li1—Li4—Li3 | 70.8 (6) | C62—O31—C52—C53 | −170.4 (8) |
| O1—Li2—Li4—O4 | −96.3 (8) | C51—C52—C53—C54 | 4.4 (15) |
| O3—Li2—Li4—O4 | 92.9 (6) | O31—C52—C53—C54 | −178.0 (10) |
| O2—Li2—Li4—O4 | 0.1 (7) | C52—C53—C54—C55 | −2.5 (17) |
| O200—Li2—Li4—O4 | 178.8 (13) | C53—C54—C55—C56 | −1.2 (17) |
| Li1—Li2—Li4—O4 | −35.6 (6) | C52—C51—C56—C55 | −1.9 (14) |
| Li3—Li2—Li4—O4 | 37.0 (6) | B3—C51—C56—C55 | 177.9 (9) |
| O3—Li2—Li4—O1 | −170.7 (8) | C54—C55—C56—C51 | 3.5 (16) |
| O2—Li2—Li4—O1 | 96.5 (7) | O3—B3—C61—C62 | −175.3 (8) |
| O200—Li2—Li4—O1 | −84.9 (15) | C51—B3—C61—C62 | 5.9 (11) |
| Li1—Li2—Li4—O1 | 60.7 (5) | O3—B3—C61—C66 | 5.8 (13) |
| Li3—Li2—Li4—O1 | 133.4 (8) | C51—B3—C61—C66 | −173.0 (8) |
| O1—Li2—Li4—O3 | 170.7 (8) | C66—C61—C62—C63 | −3.7 (13) |
| O2—Li2—Li4—O3 | −92.8 (6) | B3—C61—C62—C63 | 177.3 (9) |
| O200—Li2—Li4—O3 | 85.9 (14) | C66—C61—C62—O31 | 179.9 (7) |
| Li1—Li2—Li4—O3 | −128.5 (7) | B3—C61—C62—O31 | 0.9 (13) |
| Li3—Li2—Li4—O3 | −55.9 (5) | C52—O31—C62—C63 | 175.3 (8) |
| O1—Li2—Li4—O400 | 91.8 (10) | C52—O31—C62—C61 | −8.0 (12) |
| O3—Li2—Li4—O400 | −78.9 (11) | C61—C62—C63—C64 | 3.1 (15) |
| O2—Li2—Li4—O400 | −171.7 (10) | O31—C62—C63—C64 | 179.8 (8) |
| O200—Li2—Li4—O400 | 7(2) | C62—C63—C64—C65 | −0.5 (16) |
| Li1—Li2—Li4—O400 | 152.5 (11) | C63—C64—C65—C66 | −1.2 (16) |
| Li3—Li2—Li4—O400 | −134.8 (12) | C64—C65—C66—C61 | 0.4 (15) |
| O1—Li2—Li4—Li1 | −60.7 (5) | C62—C61—C66—C65 | 1.9 (13) |
| O3—Li2—Li4—Li1 | 128.5 (7) | B3—C61—C66—C65 | −179.1 (9) |
| O2—Li2—Li4—Li1 | 35.7 (5) | O1—Li4—O4—B4 | 130.7 (11) |
| O200—Li2—Li4—Li1 | −145.6 (16) | O3—Li4—O4—B4 | −134.4 (11) |
| Li3—Li2—Li4—Li1 | 72.6 (7) | O400—Li4—O4—B4 | −9.0 (18) |
| O1—Li2—Li4—Li3 | −133.4 (8) | Li1—Li4—O4—B4 | 137.5 (13) |
| O3—Li2—Li4—Li3 | 55.9 (5) | Li2—Li4—O4—B4 | 177.6 (11) |
| O2—Li2—Li4—Li3 | −36.9 (6) | Li3—Li4—O4—B4 | −139.2 (13) |
| O200—Li2—Li4—Li3 | 141.8 (15) | O1—Li4—O4—Li1 | −6.8 (7) |
| Li1—Li2—Li4—Li3 | −72.6 (7) | O3—Li4—O4—Li1 | 88.1 (7) |
| O3—Li3—Li4—O4 | 173.4 (9) | O400—Li4—O4—Li1 | −146.5 (10) |
| O300—Li3—Li4—O4 | 70.3 (14) | Li2—Li4—O4—Li1 | 40.1 (6) |
| O2—Li3—Li4—O4 | −91.6 (7) | Li3—Li4—O4—Li1 | 83.3 (7) |
| Li2—Li3—Li4—O4 | −127.9 (8) | O1—Li4—O4—Li3 | −90.2 (7) |
| Li1—Li3—Li4—O4 | −60.3 (6) | O3—Li4—O4—Li3 | 4.7 (6) |
| O3—Li3—Li4—O1 | −90.8 (6) | O400—Li4—O4—Li3 | 130.1 (10) |
| O300—Li3—Li4—O1 | 166.0 (14) | Li1—Li4—O4—Li3 | −83.3 (7) |
| O2—Li3—Li4—O1 | 4.1 (7) | Li2—Li4—O4—Li3 | −43.2 (6) |
| O4—Li3—Li4—O1 | 95.7 (7) | O2—Li1—O4—B4 | 114.2 (8) |
| Li2—Li3—Li4—O1 | −32.1 (6) | O1—Li1—O4—B4 | −146.0 (7) |
| Li1—Li3—Li4—O1 | 35.4 (6) | O100—Li1—O4—B4 | −23.8 (12) |
| O300—Li3—Li4—O3 | −103.1 (16) | Li2—Li1—O4—B4 | 165.0 (7) |
| O2—Li3—Li4—O3 | 95.0 (6) | Li4—Li1—O4—B4 | −152.9 (9) |
| O4—Li3—Li4—O3 | −173.4 (9) | Li3—Li1—O4—B4 | 122.1 (9) |
| Li2—Li3—Li4—O3 | 58.7 (6) | O2—Li1—O4—Li4 | −93.0 (7) |
| Li1—Li3—Li4—O3 | 126.2 (7) | O1—Li1—O4—Li4 | 6.8 (7) |
| O3—Li3—Li4—O400 | 73.1 (12) | O100—Li1—O4—Li4 | 129.1 (8) |
| O300—Li3—Li4—O400 | −30 (2) | Li2—Li1—O4—Li4 | −42.2 (7) |
| O2—Li3—Li4—O400 | 168.1 (11) | Li3—Li1—O4—Li4 | −85.0 (6) |
| O4—Li3—Li4—O400 | −100.4 (13) | O2—Li1—O4—Li3 | −7.9 (6) |
| Li2—Li3—Li4—O400 | 131.8 (13) | O1—Li1—O4—Li3 | 91.8 (7) |
| Li1—Li3—Li4—O400 | −160.7 (13) | O100—Li1—O4—Li3 | −145.9 (8) |
| O3—Li3—Li4—Li1 | −126.2 (7) | Li2—Li1—O4—Li3 | 42.9 (6) |
| O300—Li3—Li4—Li1 | 130.6 (16) | Li4—Li1—O4—Li3 | 85.0 (6) |
| O2—Li3—Li4—Li1 | −31.3 (5) | O3—Li3—O4—B4 | 148.9 (7) |
| O4—Li3—Li4—Li1 | 60.3 (6) | O300—Li3—O4—B4 | 9.5 (12) |
| Li2—Li3—Li4—Li1 | −67.5 (6) | O2—Li3—O4—B4 | −114.9 (7) |
| O3—Li3—Li4—Li2 | −58.7 (6) | Li2—Li3—O4—B4 | −163.1 (7) |
| O300—Li3—Li4—Li2 | −161.8 (16) | Li4—Li3—O4—B4 | 153.9 (9) |
| O2—Li3—Li4—Li2 | 36.3 (5) | Li1—Li3—O4—B4 | −122.4 (8) |
| O4—Li3—Li4—Li2 | 127.9 (8) | O3—Li3—O4—Li4 | −5.0 (7) |
| Li1—Li3—Li4—Li2 | 67.5 (6) | O300—Li3—O4—Li4 | −144.4 (9) |
| O3—Li2—O1—B1 | −127.8 (11) | O2—Li3—O4—Li4 | 91.2 (7) |
| O2—Li2—O1—B1 | 136.2 (11) | Li2—Li3—O4—Li4 | 43.1 (6) |
| O200—Li2—O1—B1 | 7.7 (18) | Li1—Li3—O4—Li4 | 83.7 (6) |
| Li1—Li2—O1—B1 | 141.0 (13) | O3—Li3—O4—Li1 | −88.7 (6) |
| Li4—Li2—O1—B1 | −135.0 (13) | O300—Li3—O4—Li1 | 131.9 (9) |
| Li3—Li2—O1—B1 | −174.5 (11) | O2—Li3—O4—Li1 | 7.5 (6) |
| O3—Li2—O1—Li1 | 91.1 (6) | Li2—Li3—O4—Li1 | −40.6 (6) |
| O2—Li2—O1—Li1 | −4.8 (5) | Li4—Li3—O4—Li1 | −83.7 (6) |
| O200—Li2—O1—Li1 | −133.3 (10) | Li4—O4—B4—C71 | −6.8 (18) |
| Li4—Li2—O1—Li1 | 84.0 (6) | Li1—O4—B4—C71 | 121.5 (9) |
| Li3—Li2—O1—Li1 | 44.5 (6) | Li3—O4—B4—C71 | −137.3 (9) |
| O3—Li2—O1—Li4 | 7.1 (6) | Li4—O4—B4—C81 | 177.1 (10) |
| O2—Li2—O1—Li4 | −88.8 (7) | Li1—O4—B4—C81 | −54.6 (12) |
| O200—Li2—O1—Li4 | 142.7 (9) | Li3—O4—B4—C81 | 46.6 (12) |
| Li1—Li2—O1—Li4 | −84.0 (6) | O4—B4—C71—C72 | 176.2 (8) |
| Li3—Li2—O1—Li4 | −39.5 (7) | C81—B4—C71—C72 | −7.4 (11) |
| O2—Li1—O1—B1 | −150.0 (7) | O4—B4—C71—C76 | −5.2 (14) |
| O100—Li1—O1—B1 | −15.3 (11) | C81—B4—C71—C76 | 171.2 (9) |
| O4—Li1—O1—B1 | 112.2 (8) | C82—O41—C72—C71 | 12.5 (14) |
| Li2—Li1—O1—B1 | −155.0 (8) | C82—O41—C72—C73 | −168.6 (8) |
| Li4—Li1—O1—B1 | 118.9 (8) | C76—C71—C72—O41 | 178.3 (9) |
| Li3—Li1—O1—B1 | 161.3 (7) | B4—C71—C72—O41 | −3.0 (13) |
| O2—Li1—O1—Li2 | 5.0 (6) | C76—C71—C72—C73 | −0.5 (13) |
| O100—Li1—O1—Li2 | 139.7 (9) | B4—C71—C72—C73 | 178.2 (8) |
| O4—Li1—O1—Li2 | −92.8 (7) | O41—C72—C73—C74 | −177.5 (9) |
| Li4—Li1—O1—Li2 | −86.2 (6) | C71—C72—C73—C74 | 1.5 (15) |
| Li3—Li1—O1—Li2 | −43.7 (6) | C72—C73—C74—C75 | −2.8 (18) |
| O2—Li1—O1—Li4 | 91.2 (7) | C73—C74—C75—C76 | 3.0 (18) |
| O100—Li1—O1—Li4 | −134.1 (8) | C74—C75—C76—C71 | −1.8 (16) |
| O4—Li1—O1—Li4 | −6.7 (7) | C72—C71—C76—C75 | 0.6 (14) |
| Li2—Li1—O1—Li4 | 86.2 (6) | B4—C71—C76—C75 | −178.0 (9) |
| Li3—Li1—O1—Li4 | 42.4 (6) | O4—B4—C81—C86 | 4.6 (15) |
| O4—Li4—O1—B1 | −117.7 (7) | C71—B4—C81—C86 | −171.8 (9) |
| O3—Li4—O1—B1 | 146.6 (7) | O4—B4—C81—C82 | −174.3 (8) |
| O400—Li4—O1—B1 | 24.4 (12) | C71—B4—C81—C82 | 9.2 (12) |
| Li1—Li4—O1—B1 | −124.7 (9) | C72—O41—C82—C83 | 173.7 (10) |
| Li2—Li4—O1—B1 | 153.4 (8) | C72—O41—C82—C81 | −10.0 (13) |
| Li3—Li4—O1—B1 | −167.4 (7) | C86—C81—C82—C83 | −4.1 (16) |
| O4—Li4—O1—Li2 | 88.9 (7) | B4—C81—C82—C83 | 175.0 (10) |
| O3—Li4—O1—Li2 | −6.9 (6) | C86—C81—C82—O41 | 179.9 (8) |
| O400—Li4—O1—Li2 | −129.1 (9) | B4—C81—C82—O41 | −1.0 (13) |
| Li1—Li4—O1—Li2 | 81.9 (6) | O41—C82—C83—C84 | −179.8 (10) |
| Li3—Li4—O1—Li2 | 39.1 (7) | C81—C82—C83—C84 | 4.0 (18) |
| O4—Li4—O1—Li1 | 7.0 (7) | C82—C83—C84—C85 | −0.7 (19) |
| O3—Li4—O1—Li1 | −88.7 (7) | C83—C84—C85—C86 | −2.1 (17) |
| O400—Li4—O1—Li1 | 149.1 (10) | C82—C81—C86—C85 | 0.9 (15) |
| Li2—Li4—O1—Li1 | −81.9 (6) | B4—C81—C86—C85 | −178.1 (10) |
| Li3—Li4—O1—Li1 | −42.8 (7) | C84—C85—C86—C81 | 1.9 (17) |
| Li2—O1—B1—C21 | 4.7 (18) | O2—Li1—O100—C103 | −122.4 (10) |
| Li1—O1—B1—C21 | 136.4 (9) | O1—Li1—O100—C103 | 116.2 (9) |
| Li4—O1—B1—C21 | −122.5 (9) | O4—Li1—O100—C103 | 3.6 (13) |
| Li2—O1—B1—C11 | −175.6 (10) | Li2—Li1—O100—C103 | 169.2 (10) |
| Li1—O1—B1—C11 | −43.9 (12) | Li4—Li1—O100—C103 | 62.4 (14) |
| Li4—O1—B1—C11 | 57.2 (11) | Li3—Li1—O100—C103 | −56.7 (19) |
| O1—B1—C11—C12 | 173.5 (8) | O2—Li1—O100—C101 | 61.7 (11) |
| C21—B1—C11—C12 | −6.8 (11) | O1—Li1—O100—C101 | −59.7 (10) |
| O1—B1—C11—C16 | −4.4 (13) | O4—Li1—O100—C101 | −172.3 (8) |
| C21—B1—C11—C16 | 175.3 (7) | Li2—Li1—O100—C101 | −6.7 (15) |
| C22—O11—C12—C13 | −172.5 (8) | Li4—Li1—O100—C101 | −113.5 (11) |
| C22—O11—C12—C11 | 7.1 (11) | Li3—Li1—O100—C101 | 127.4 (15) |
| C16—C11—C12—C13 | −1.1 (12) | C103—O100—C101—C102 | −61.6 (13) |
| B1—C11—C12—C13 | −179.3 (9) | Li1—O100—C101—C102 | 114.8 (10) |
| C16—C11—C12—O11 | 179.4 (7) | C101—O100—C103—C104 | −66.1 (12) |
| B1—C11—C12—O11 | 1.2 (11) | Li1—O100—C103—C104 | 118.1 (11) |
| O11—C12—C13—C14 | 180.0 (9) | O1—Li2—O200—C203 | 76.9 (12) |
| C11—C12—C13—C14 | 0.5 (15) | O3—Li2—O200—C203 | −157.8 (9) |
| C12—C13—C14—C15 | −0.7 (16) | O2—Li2—O200—C203 | −43.0 (12) |
| C13—C14—C15—C16 | 1.7 (15) | Li1—Li2—O200—C203 | 11.9 (15) |
| C14—C15—C16—C11 | −2.6 (14) | Li4—Li2—O200—C203 | 138.6 (15) |
| C12—C11—C16—C15 | 2.2 (12) | Li3—Li2—O200—C203 | −99.7 (15) |
| B1—C11—C16—C15 | −179.8 (9) | O1—Li2—O200—C201 | −125.3 (9) |
| O1—B1—C21—C22 | −175.3 (8) | O3—Li2—O200—C201 | −0.1 (11) |
| C11—B1—C21—C22 | 5.0 (12) | O2—Li2—O200—C201 | 114.8 (9) |
| O1—B1—C21—C26 | 6.7 (14) | Li1—Li2—O200—C201 | 169.6 (9) |
| C11—B1—C21—C26 | −173.0 (8) | Li4—Li2—O200—C201 | −63.7 (16) |
| C12—O11—C22—C23 | 171.9 (8) | Li3—Li2—O200—C201 | 58.1 (15) |
| C12—O11—C22—C21 | −9.1 (12) | C203—O200—C201—C202 | −81.0 (11) |
| C26—C21—C22—O11 | −179.3 (8) | Li2—O200—C201—C202 | 118.8 (9) |
| B1—C21—C22—O11 | 2.5 (13) | C201—O200—C203—C204 | 173.7 (10) |
| C26—C21—C22—C23 | −0.4 (13) | Li2—O200—C203—C204 | −26.9 (14) |
| B1—C21—C22—C23 | −178.7 (9) | O3—Li3—O300—C301 | −82.5 (14) |
| O11—C22—C23—C24 | 179.5 (9) | O2—Li3—O300—C301 | 150.6 (12) |
| C21—C22—C23—C24 | 0.6 (15) | O4—Li3—O300—C301 | 40.6 (15) |
| C22—C23—C24—C25 | −1.1 (16) | Li2—Li3—O300—C301 | −154.9 (17) |
| C23—C24—C25—C26 | 1.4 (16) | Li4—Li3—O300—C301 | −9(2) |
| C24—C25—C26—C21 | −1.3 (15) | Li1—Li3—O300—C301 | 96.4 (14) |
| C22—C21—C26—C25 | 0.8 (14) | O3—Li3—O300—C303 | 118.8 (10) |
| B1—C21—C26—C25 | 179.0 (10) | O2—Li3—O300—C303 | −8.1 (12) |
| O1—Li1—O2—B2 | 122.7 (11) | O4—Li3—O300—C303 | −118.1 (9) |
| O100—Li1—O2—B2 | −5.2 (17) | Li2—Li3—O300—C303 | 46 (2) |
| O4—Li1—O2—B2 | −140.9 (11) | Li4—Li3—O300—C303 | −167.4 (13) |
| Li2—Li1—O2—B2 | 127.6 (12) | Li1—Li3—O300—C303 | −62.3 (13) |
| Li4—Li1—O2—B2 | 171.6 (11) | C303—O300—C301—C302 | −174.2 (11) |
| Li3—Li1—O2—B2 | −148.9 (13) | Li3—O300—C301—C302 | 24.9 (19) |
| O1—Li1—O2—Li2 | −4.9 (6) | C301—O300—C303—C304 | 79.8 (15) |
| O100—Li1—O2—Li2 | −132.8 (9) | Li3—O300—C303—C304 | −118.1 (12) |
| O4—Li1—O2—Li2 | 91.5 (6) | O4—Li4—O400—C403 | 125.5 (9) |
| Li4—Li1—O2—Li2 | 44.0 (5) | O1—Li4—O400—C403 | −5.3 (13) |
| Li3—Li1—O2—Li2 | 83.5 (6) | O3—Li4—O400—C403 | −117.5 (8) |
| O1—Li1—O2—Li3 | −88.4 (6) | Li1—Li4—O400—C403 | 54.2 (19) |
| O100—Li1—O2—Li3 | 143.7 (9) | Li2—Li4—O400—C403 | −64.6 (13) |
| O4—Li1—O2—Li3 | 8.0 (6) | Li3—Li4—O400—C403 | −166.3 (10) |
| Li2—Li1—O2—Li3 | −83.5 (6) | O4—Li4—O400—C401 | −73.3 (13) |
| Li4—Li1—O2—Li3 | −39.5 (6) | O1—Li4—O400—C401 | 155.8 (9) |
| O1—Li2—O2—B2 | −144.7 (7) | O3—Li4—O400—C401 | 43.7 (11) |
| O3—Li2—O2—B2 | 117.2 (7) | Li1—Li4—O400—C401 | −144.7 (14) |
| O200—Li2—O2—B2 | −12.0 (11) | Li2—Li4—O400—C401 | 96.6 (12) |
| Li1—Li2—O2—B2 | −149.6 (8) | Li3—Li4—O400—C401 | −5.2 (16) |
| Li4—Li2—O2—B2 | 167.2 (7) | C403—O400—C401—C402 | −171.2 (10) |
| Li3—Li2—O2—B2 | 123.4 (8) | Li4—O400—C401—C402 | 26.1 (14) |
| O1—Li2—O2—Li1 | 4.9 (6) | C401—O400—C403—C404 | 79.8 (11) |
| O3—Li2—O2—Li1 | −93.1 (6) | Li4—O400—C403—C404 | −117.0 (10) |