| Literature DB >> 28217330 |
Wilhelm Klein1, Haiyan He1, Thomas F Fässler1.
Abstract
The crystal structure of the title compound, [Rb(C18H36N2O6)]3RbSn9, consists of deltahedral [Sn9]4- cluster anions, Rb+ cations and cryptand mol-ecules, which partially sequester the cations. Those cations, which are not coordinated by cryptand mol-ecules, are neighboured directly to the [Sn9]4- clusters and inter-connect them to form ∞1[RbSn9]3- chains. These chains extend parallel to [001] and are arranged in a pseudo-hexa-gonal rod packing, separated by the Rb-cryptand complex cations.Entities:
Keywords: Zintl anions; cage compounds; crystal structure; isotypism; stannides; tin
Year: 2017 PMID: 28217330 PMCID: PMC5290553 DOI: 10.1107/S2056989017000172
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun
Figure 1The main structural components of the title compound, showing a section of the ∞ 1[RbSn9]3− chain. Anisotropic displacement ellipsoids are drawn at the 50% probability level. H atoms of the cryptand molecules have been omitted; labelled sections represent the asymmetric unit.
Figure 2Crystal structure of the title compound: (a) in a view along [110]; (b) in a view along [001]. [Sn9]4– clusters are drawn as polyhedra and Rb+ cations as grey spheres. H atoms of the cryptand molecules have been omitted for clarity.
Experimental details
| Crystal data | |
| Chemical formula | [Rb(C18H36N2O6)]3RbSn9 |
|
| 2539.55 |
| Crystal system, space group | Triclinic, |
| Temperature (K) | 123 |
|
| 15.7287 (8), 16.153 (1), 20.2896 (8) |
| α, β, γ (°) | 98.782 (4), 104.350 (4), 118.407 (6) |
|
| 4165.4 (4) |
|
| 2 |
| Radiation type | Mo |
| μ (mm−1) | 5.03 |
| Crystal size (mm) | 0.15 × 0.12 × 0.05 |
| Data collection | |
| Diffractometer | Oxford Diffraction Xcalibur 3 |
| Absorption correction | Multi-scan ( |
|
| 0.832, 1.000 |
| No. of measured, independent and observed [ | 29013, 15902, 4724 |
|
| 0.112 |
| (sin θ/λ)max (Å−1) | 0.617 |
| Refinement | |
|
| 0.054, 0.094, 0.62 |
| No. of reflections | 15902 |
| No. of parameters | 823 |
| No. of restraints | 60 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 2.85, −2.19 |
Computer programs: CrysAlis CCD and CrysAlis RED (Oxford Diffraction, 2009 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2014/7 (Sheldrick, 2015 ▸), DIAMOND (Brandenburg, 2012 ▸) and publCIF (Westrip, 2010 ▸).
| [Rb(C18H36N2O6)]3RbSn9 | |
| Triclinic, | |
| Mo | |
| Cell parameters from 2671 reflections | |
| θ = 2.9–32.9° | |
| α = 98.782 (4)° | µ = 5.03 mm−1 |
| β = 104.350 (4)° | |
| γ = 118.407 (6)° | Plate, brown |
| 0.15 × 0.12 × 0.05 mm |
| Oxford Diffraction Xcalibur 3 diffractometer | 15902 independent reflections |
| Radiation source: fine-focus sealed tube | 4724 reflections with |
| Graphite monochromator | |
| Detector resolution: 16.0238 pixels mm-1 | θmax = 26.0°, θmin = 2.9° |
| ω and π scans | |
| Absorption correction: multi-scan (CrysAlisRED; Oxford Diffraction, 2009) | |
| 29013 measured 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 | |
| 15902 reflections | (Δ/σ)max = 0.001 |
| 823 parameters | Δρmax = 2.85 e Å−3 |
| 60 restraints | Δρmin = −2.19 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Sn1 | 0.08357 (8) | 0.16103 (7) | 0.39428 (5) | 0.0410 (3) | |
| Sn2 | 0.16023 (7) | 0.25708 (7) | 0.29264 (5) | 0.0299 (3) | |
| Sn3 | 0.12360 (7) | 0.07394 (7) | 0.20224 (5) | 0.0328 (3) | |
| Sn4 | 0.05539 (8) | −0.02245 (8) | 0.30783 (5) | 0.0416 (3) | |
| Sn5 | −0.04374 (7) | 0.21046 (7) | 0.29624 (5) | 0.0355 (3) | |
| Sn6 | −0.01767 (8) | 0.14432 (7) | 0.15343 (5) | 0.0343 (3) | |
| Sn7 | −0.09899 (8) | −0.07686 (7) | 0.16271 (5) | 0.0386 (3) | |
| Sn8 | −0.12916 (8) | −0.01594 (7) | 0.30748 (5) | 0.0419 (3) | |
| Sn9 | −0.20912 (8) | 0.02659 (8) | 0.17892 (5) | 0.0430 (3) | |
| Rb1 | 0.0000 | 0.0000 | 0.0000 | 0.0586 (7) | |
| Rb2 | 0.0000 | 0.0000 | 0.5000 | 0.1214 (13) | |
| Rb3 | 0.61092 (10) | 0.39675 (10) | 0.17403 (7) | 0.0318 (4) | |
| N1 | 0.4557 (8) | 0.2336 (7) | 0.0330 (5) | 0.028 (3) | |
| N2 | 0.7700 (9) | 0.5604 (9) | 0.3164 (6) | 0.039 (3) | |
| O1 | 0.5734 (7) | 0.4486 (7) | 0.0473 (4) | 0.039 (3) | |
| O2 | 0.7466 (7) | 0.5961 (6) | 0.1754 (5) | 0.042 (3) | |
| O3 | 0.3993 (6) | 0.2728 (6) | 0.1544 (4) | 0.031 (2) | |
| O4 | 0.5387 (8) | 0.4516 (7) | 0.2800 (5) | 0.042 (3) | |
| O5 | 0.6478 (7) | 0.2466 (7) | 0.1151 (5) | 0.043 (3) | |
| O6 | 0.7708 (7) | 0.3809 (7) | 0.2619 (5) | 0.042 (3) | |
| C1 | 0.4354 (9) | 0.2790 (9) | −0.0236 (6) | 0.032 (4) | |
| H1A | 0.3845 | 0.2967 | −0.0185 | 0.039* | |
| H1B | 0.4045 | 0.2296 | −0.0716 | 0.039* | |
| C2 | 0.5381 (11) | 0.3749 (11) | −0.0178 (7) | 0.053 (5) | |
| H2A | 0.5919 | 0.3596 | −0.0185 | 0.063* | |
| H2B | 0.5239 | 0.3988 | −0.0588 | 0.063* | |
| C3 | 0.6589 (10) | 0.5372 (10) | 0.0478 (7) | 0.035 (4) | |
| H3A | 0.6363 | 0.5582 | 0.0070 | 0.042* | |
| H3B | 0.7140 | 0.5259 | 0.0431 | 0.042* | |
| C4 | 0.7011 (11) | 0.6183 (10) | 0.1191 (7) | 0.048 (4) | |
| H4A | 0.7531 | 0.6833 | 0.1174 | 0.058* | |
| H4B | 0.6435 | 0.6231 | 0.1266 | 0.058* | |
| C5 | 0.7826 (11) | 0.6677 (10) | 0.2414 (8) | 0.057 (5) | |
| H5A | 0.7228 | 0.6674 | 0.2494 | 0.068* | |
| H5B | 0.8305 | 0.7343 | 0.2397 | 0.068* | |
| C6 | 0.8390 (11) | 0.6477 (10) | 0.3040 (8) | 0.056 (5) | |
| H6A | 0.8938 | 0.6406 | 0.2934 | 0.067* | |
| H6B | 0.8732 | 0.7051 | 0.3480 | 0.067* | |
| C7 | 0.3610 (10) | 0.1695 (10) | 0.0410 (7) | 0.047 (4) | |
| H7A | 0.3701 | 0.1242 | 0.0656 | 0.057* | |
| H7B | 0.3061 | 0.1284 | −0.0072 | 0.057* | |
| C8 | 0.3253 (10) | 0.2235 (10) | 0.0829 (7) | 0.041 (4) | |
| H8A | 0.3200 | 0.2723 | 0.0609 | 0.049* | |
| H8B | 0.2560 | 0.1758 | 0.0827 | 0.049* | |
| C9 | 0.3669 (10) | 0.3255 (10) | 0.1942 (7) | 0.041 (4) | |
| H9A | 0.2950 | 0.2797 | 0.1907 | 0.049* | |
| H9B | 0.3684 | 0.3785 | 0.1746 | 0.049* | |
| C10 | 0.4416 (11) | 0.3711 (11) | 0.2729 (8) | 0.047 (4) | |
| H10A | 0.4119 | 0.3942 | 0.3034 | 0.056* | |
| H10B | 0.4510 | 0.3202 | 0.2892 | 0.056* | |
| C11 | 0.6091 (12) | 0.4900 (11) | 0.3483 (7) | 0.044 (4) | |
| H11A | 0.6228 | 0.4393 | 0.3603 | 0.053* | |
| H11B | 0.5797 | 0.5072 | 0.3820 | 0.053* | |
| C12 | 0.7103 (12) | 0.5817 (11) | 0.3572 (8) | 0.062 (5) | |
| H12A | 0.6951 | 0.6295 | 0.3405 | 0.074* | |
| H12B | 0.7546 | 0.6136 | 0.4088 | 0.074* | |
| C13 | 0.4980 (10) | 0.1743 (10) | 0.0100 (7) | 0.046 (5) | |
| H13A | 0.4402 | 0.1099 | −0.0260 | 0.055* | |
| H13B | 0.5466 | 0.2099 | −0.0132 | 0.055* | |
| C14 | 0.5522 (10) | 0.1562 (10) | 0.0701 (7) | 0.039 (4) | |
| H14A | 0.5078 | 0.1305 | 0.0982 | 0.047* | |
| H14B | 0.5666 | 0.1057 | 0.0519 | 0.047* | |
| C15 | 0.7082 (11) | 0.2306 (10) | 0.1697 (7) | 0.049 (5) | |
| H15A | 0.7327 | 0.1911 | 0.1482 | 0.059* | |
| H15B | 0.6652 | 0.1929 | 0.1954 | 0.059* | |
| C16 | 0.8002 (11) | 0.3285 (10) | 0.2217 (7) | 0.041 (4) | |
| H16A | 0.8482 | 0.3166 | 0.2546 | 0.049* | |
| H16B | 0.8379 | 0.3692 | 0.1948 | 0.049* | |
| C17 | 0.8587 (11) | 0.4697 (12) | 0.3131 (7) | 0.057 (5) | |
| H17A | 0.8994 | 0.5125 | 0.2885 | 0.068* | |
| H17B | 0.9039 | 0.4544 | 0.3454 | 0.068* | |
| C18 | 0.8242 (10) | 0.5226 (11) | 0.3557 (7) | 0.043 (4) | |
| H18A | 0.7784 | 0.4765 | 0.3762 | 0.052* | |
| H18B | 0.8861 | 0.5786 | 0.3963 | 0.052* | |
| Rb4 | 0.63019 (10) | 0.24191 (10) | 0.48979 (7) | 0.0307 (4) | |
| N3 | 0.4697 (9) | 0.2786 (8) | 0.5135 (6) | 0.035 (3) | |
| N4 | 0.7945 (9) | 0.2050 (8) | 0.4680 (5) | 0.034 (3) | |
| O7 | 0.4670 (7) | 0.2095 (7) | 0.3686 (4) | 0.034 (2) | |
| O8 | 0.5935 (7) | 0.1347 (6) | 0.3462 (4) | 0.038 (3) | |
| O9 | 0.6892 (7) | 0.4381 (6) | 0.5596 (4) | 0.035 (3) | |
| O10 | 0.8322 (6) | 0.4092 (6) | 0.5085 (4) | 0.036 (3) | |
| O11 | 0.5135 (7) | 0.1394 (6) | 0.5733 (5) | 0.040 (3) | |
| O12 | 0.6924 (7) | 0.1374 (6) | 0.5723 (4) | 0.032 (2) | |
| C19 | 0.4044 (9) | 0.2752 (10) | 0.4456 (6) | 0.036 (4) | |
| H19A | 0.4423 | 0.3388 | 0.4362 | 0.043* | |
| H19B | 0.3400 | 0.2673 | 0.4502 | 0.043* | |
| C20 | 0.3762 (11) | 0.1911 (10) | 0.3831 (6) | 0.039 (4) | |
| H20A | 0.3454 | 0.1281 | 0.3944 | 0.047* | |
| H20B | 0.3240 | 0.1846 | 0.3402 | 0.047* | |
| C21 | 0.4405 (9) | 0.1419 (9) | 0.3066 (6) | 0.031 (4) | |
| H21A | 0.3962 | 0.1480 | 0.2660 | 0.038* | |
| H21B | 0.4006 | 0.0740 | 0.3093 | 0.038* | |
| C22 | 0.5395 (10) | 0.1599 (9) | 0.2945 (7) | 0.034 (4) | |
| H22A | 0.5212 | 0.1189 | 0.2457 | 0.040* | |
| H22B | 0.5844 | 0.2306 | 0.2989 | 0.040* | |
| C23 | 0.6872 (10) | 0.1476 (10) | 0.3405 (7) | 0.042 (4) | |
| H23A | 0.7316 | 0.2160 | 0.3401 | 0.050* | |
| H23B | 0.6701 | 0.1012 | 0.2944 | 0.050* | |
| C24 | 0.7461 (10) | 0.1303 (9) | 0.3996 (6) | 0.031 (4) | |
| H24A | 0.6984 | 0.0656 | 0.4040 | 0.037* | |
| H24B | 0.8007 | 0.1254 | 0.3867 | 0.037* | |
| C25 | 0.5207 (11) | 0.3747 (10) | 0.5659 (7) | 0.044 (4) | |
| H25A | 0.5486 | 0.3706 | 0.6139 | 0.053* | |
| H25B | 0.4684 | 0.3921 | 0.5665 | 0.053* | |
| C26 | 0.6076 (10) | 0.4564 (10) | 0.5531 (7) | 0.037 (4) | |
| H26A | 0.5818 | 0.4598 | 0.5045 | 0.045* | |
| H26B | 0.6344 | 0.5208 | 0.5885 | 0.045* | |
| C27 | 0.7740 (12) | 0.5146 (10) | 0.5454 (7) | 0.051 (5) | |
| H27A | 0.7995 | 0.5809 | 0.5775 | 0.061* | |
| H27B | 0.7492 | 0.5133 | 0.4952 | 0.061* | |
| C28 | 0.8625 (10) | 0.4949 (11) | 0.5584 (7) | 0.043 (4) | |
| H28A | 0.9243 | 0.5513 | 0.5556 | 0.051* | |
| H28B | 0.8819 | 0.4894 | 0.6071 | 0.051* | |
| C29 | 0.9102 (10) | 0.3877 (10) | 0.5277 (6) | 0.034 (4) | |
| H29A | 0.9171 | 0.3751 | 0.5744 | 0.041* | |
| H29B | 0.9778 | 0.4451 | 0.5326 | 0.041* | |
| C30 | 0.8821 (10) | 0.2979 (10) | 0.4711 (7) | 0.043 (4) | |
| H30A | 0.8657 | 0.3082 | 0.4238 | 0.052* | |
| H30B | 0.9434 | 0.2921 | 0.4796 | 0.052* | |
| C31 | 0.4037 (10) | 0.2025 (11) | 0.5402 (7) | 0.046 (4) | |
| H31A | 0.3560 | 0.1396 | 0.4999 | 0.055* | |
| H31B | 0.3606 | 0.2230 | 0.5571 | 0.055* | |
| C32 | 0.4622 (11) | 0.1839 (11) | 0.5995 (7) | 0.039 (4) | |
| H32A | 0.5145 | 0.2473 | 0.6385 | 0.046* | |
| H32B | 0.4137 | 0.1390 | 0.6192 | 0.046* | |
| C33 | 0.5677 (11) | 0.1164 (10) | 0.6260 (7) | 0.040 (4) | |
| H33A | 0.5183 | 0.0688 | 0.6438 | 0.048* | |
| H33B | 0.6199 | 0.1775 | 0.6670 | 0.048* | |
| C34 | 0.6205 (10) | 0.0730 (10) | 0.5979 (7) | 0.035 (4) | |
| H34A | 0.6571 | 0.0575 | 0.6365 | 0.042* | |
| H34B | 0.5680 | 0.0101 | 0.5585 | 0.042* | |
| C35 | 0.7387 (12) | 0.0917 (11) | 0.5435 (7) | 0.050 (5) | |
| H35A | 0.6856 | 0.0341 | 0.5003 | 0.060* | |
| H35B | 0.7677 | 0.0675 | 0.5793 | 0.060* | |
| C36 | 0.8262 (10) | 0.1680 (10) | 0.5237 (7) | 0.036 (4) | |
| H36A | 0.8774 | 0.2253 | 0.5675 | 0.044* | |
| H36B | 0.8624 | 0.1371 | 0.5083 | 0.044* | |
| Rb5 | 0.76177 (10) | 0.32954 (9) | 0.86626 (7) | 0.0300 (4) | |
| N5 | 0.7359 (9) | 0.1513 (8) | 0.9045 (6) | 0.041 (3) | |
| N6 | 0.7851 (8) | 0.5051 (8) | 0.8284 (6) | 0.031 (3) | |
| O13 | 0.8244 (7) | 0.2143 (6) | 0.7948 (5) | 0.037 (3) | |
| O14 | 0.8891 (6) | 0.4026 (6) | 0.7829 (5) | 0.033 (2) | |
| O15 | 0.5564 (6) | 0.1735 (6) | 0.8469 (4) | 0.033 (2) | |
| O16 | 0.5787 (6) | 0.3200 (6) | 0.7796 (4) | 0.034 (2) | |
| O17 | 0.8618 (7) | 0.3529 (7) | 1.0154 (4) | 0.036 (3) | |
| O18 | 0.8401 (6) | 0.5092 (6) | 0.9782 (4) | 0.032 (2) | |
| C37 | 0.7556 (11) | 0.0977 (10) | 0.8552 (7) | 0.040 (4) | |
| H37A | 0.6908 | 0.0551 | 0.8124 | 0.048* | |
| H37B | 0.7703 | 0.0529 | 0.8773 | 0.048* | |
| C38 | 0.8434 (12) | 0.1553 (10) | 0.8296 (8) | 0.049 (5) | |
| H38A | 0.9099 | 0.1969 | 0.8712 | 0.058* | |
| H38B | 0.8497 | 0.1082 | 0.7968 | 0.058* | |
| C39 | 0.8988 (11) | 0.2580 (10) | 0.7645 (7) | 0.041 (4) | |
| H39A | 0.8923 | 0.2060 | 0.7269 | 0.049* | |
| H39B | 0.9694 | 0.2932 | 0.8019 | 0.049* | |
| C40 | 0.8837 (10) | 0.3292 (10) | 0.7326 (6) | 0.035 (4) | |
| H40A | 0.9377 | 0.3609 | 0.7122 | 0.041* | |
| H40B | 0.8151 | 0.2926 | 0.6930 | 0.041* | |
| C41 | 0.8807 (10) | 0.4729 (11) | 0.7549 (7) | 0.043 (4) | |
| H41A | 0.8169 | 0.4388 | 0.7113 | 0.051* | |
| H41B | 0.9410 | 0.5093 | 0.7409 | 0.051* | |
| C42 | 0.8769 (10) | 0.5446 (10) | 0.8074 (7) | 0.039 (4) | |
| H42A | 0.9398 | 0.5758 | 0.8513 | 0.047* | |
| H42B | 0.8808 | 0.5977 | 0.7871 | 0.047* | |
| C43 | 0.6326 (10) | 0.0921 (9) | 0.9057 (6) | 0.033 (4) | |
| H43A | 0.6309 | 0.1235 | 0.9509 | 0.039* | |
| H43B | 0.6187 | 0.0256 | 0.9059 | 0.039* | |
| C44 | 0.5489 (10) | 0.0800 (10) | 0.8449 (7) | 0.036 (4) | |
| H44A | 0.5527 | 0.0526 | 0.7994 | 0.043* | |
| H44B | 0.4807 | 0.0320 | 0.8462 | 0.043* | |
| C45 | 0.4793 (10) | 0.1614 (9) | 0.7896 (7) | 0.037 (4) | |
| H45A | 0.4109 | 0.1143 | 0.7910 | 0.044* | |
| H45B | 0.4833 | 0.1324 | 0.7446 | 0.044* | |
| C46 | 0.4873 (9) | 0.2567 (9) | 0.7893 (6) | 0.030 (4) | |
| H46A | 0.4264 | 0.2442 | 0.7502 | 0.036* | |
| H46B | 0.4878 | 0.2882 | 0.8354 | 0.036* | |
| C47 | 0.5921 (10) | 0.4135 (9) | 0.7803 (6) | 0.028 (4) | |
| H47A | 0.5951 | 0.4468 | 0.8268 | 0.034* | |
| H47B | 0.5330 | 0.4045 | 0.7415 | 0.034* | |
| C48 | 0.6920 (9) | 0.4754 (9) | 0.7695 (6) | 0.027 (3) | |
| H48A | 0.6904 | 0.4374 | 0.7255 | 0.032* | |
| H48B | 0.6959 | 0.5358 | 0.7614 | 0.032* | |
| C49 | 0.8130 (10) | 0.1830 (11) | 0.9768 (8) | 0.044 (4) | |
| H49A | 0.7933 | 0.1245 | 0.9937 | 0.053* | |
| H49B | 0.8815 | 0.2053 | 0.9727 | 0.053* | |
| C50 | 0.8251 (11) | 0.2625 (10) | 1.0317 (7) | 0.044 (4) | |
| H50A | 0.7572 | 0.2410 | 1.0366 | 0.052* | |
| H50B | 0.8746 | 0.2740 | 1.0784 | 0.052* | |
| C51 | 0.8655 (11) | 0.4296 (11) | 1.0631 (7) | 0.050 (5) | |
| H51A | 0.9081 | 0.4417 | 1.1127 | 0.060* | |
| H51B | 0.7942 | 0.4077 | 1.0612 | 0.060* | |
| C52 | 0.9099 (11) | 0.5238 (10) | 1.0454 (8) | 0.049 (5) | |
| H52A | 0.9197 | 0.5776 | 1.0833 | 0.058* | |
| H52B | 0.9785 | 0.5432 | 1.0426 | 0.058* | |
| C53 | 0.8794 (10) | 0.5975 (8) | 0.9598 (6) | 0.027 (3) | |
| H53A | 0.9473 | 0.6172 | 0.9556 | 0.033* | |
| H53B | 0.8899 | 0.6517 | 0.9978 | 0.033* | |
| C54 | 0.8060 (10) | 0.5816 (10) | 0.8918 (7) | 0.040 (4) | |
| H54A | 0.8325 | 0.6455 | 0.8815 | 0.048* | |
| H54B | 0.7391 | 0.5630 | 0.8975 | 0.048* |
| Sn1 | 0.0433 (7) | 0.0303 (7) | 0.0357 (6) | 0.0122 (6) | 0.0073 (5) | 0.0139 (5) |
| Sn2 | 0.0253 (6) | 0.0228 (6) | 0.0318 (6) | 0.0083 (5) | 0.0088 (5) | 0.0032 (5) |
| Sn3 | 0.0321 (7) | 0.0283 (6) | 0.0368 (6) | 0.0170 (5) | 0.0111 (5) | 0.0071 (5) |
| Sn4 | 0.0408 (7) | 0.0433 (7) | 0.0478 (7) | 0.0261 (6) | 0.0149 (6) | 0.0223 (6) |
| Sn5 | 0.0318 (7) | 0.0330 (7) | 0.0396 (7) | 0.0195 (6) | 0.0094 (5) | 0.0050 (5) |
| Sn6 | 0.0375 (7) | 0.0319 (6) | 0.0299 (6) | 0.0185 (6) | 0.0077 (5) | 0.0088 (5) |
| Sn7 | 0.0331 (7) | 0.0208 (6) | 0.0463 (7) | 0.0102 (5) | 0.0050 (5) | 0.0025 (5) |
| Sn8 | 0.0334 (7) | 0.0333 (7) | 0.0536 (7) | 0.0129 (6) | 0.0171 (6) | 0.0161 (6) |
| Sn9 | 0.0251 (6) | 0.0373 (7) | 0.0527 (7) | 0.0137 (6) | 0.0043 (5) | 0.0069 (6) |
| Rb1 | 0.0697 (18) | 0.0670 (17) | 0.0312 (13) | 0.0357 (15) | 0.0161 (12) | 0.0037 (12) |
| Rb2 | 0.095 (2) | 0.167 (3) | 0.126 (3) | 0.064 (2) | 0.052 (2) | 0.112 (2) |
| Rb3 | 0.0273 (9) | 0.0260 (8) | 0.0358 (9) | 0.0116 (7) | 0.0087 (7) | 0.0083 (7) |
| N1 | 0.033 (8) | 0.014 (7) | 0.030 (7) | 0.010 (6) | 0.013 (6) | −0.001 (6) |
| N2 | 0.022 (8) | 0.045 (9) | 0.036 (8) | 0.008 (7) | 0.012 (6) | 0.010 (7) |
| O1 | 0.051 (7) | 0.040 (7) | 0.025 (6) | 0.020 (6) | 0.022 (5) | 0.011 (5) |
| O2 | 0.037 (6) | 0.035 (6) | 0.031 (6) | 0.008 (5) | 0.004 (5) | 0.010 (5) |
| O3 | 0.041 (6) | 0.029 (6) | 0.029 (6) | 0.026 (5) | 0.009 (5) | 0.000 (5) |
| O4 | 0.047 (7) | 0.053 (7) | 0.026 (6) | 0.027 (6) | 0.008 (5) | 0.017 (5) |
| O5 | 0.042 (7) | 0.041 (7) | 0.033 (6) | 0.014 (6) | 0.010 (5) | 0.011 (5) |
| O6 | 0.033 (6) | 0.056 (7) | 0.034 (6) | 0.029 (6) | 0.006 (5) | 0.003 (6) |
| C1 | 0.013 (8) | 0.017 (8) | 0.035 (9) | −0.009 (7) | 0.001 (7) | 0.003 (7) |
| C2 | 0.062 (12) | 0.068 (13) | 0.038 (10) | 0.042 (11) | 0.023 (9) | 0.007 (10) |
| C3 | 0.048 (10) | 0.034 (9) | 0.045 (10) | 0.028 (9) | 0.023 (8) | 0.034 (8) |
| C4 | 0.045 (11) | 0.035 (10) | 0.055 (11) | 0.017 (9) | 0.013 (9) | 0.018 (9) |
| C5 | 0.058 (8) | 0.030 (7) | 0.064 (8) | 0.012 (6) | 0.016 (7) | 0.017 (7) |
| C6 | 0.036 (11) | 0.036 (10) | 0.062 (12) | −0.003 (9) | 0.012 (9) | 0.017 (9) |
| C7 | 0.029 (10) | 0.033 (10) | 0.043 (10) | −0.003 (8) | 0.008 (8) | −0.006 (8) |
| C8 | 0.023 (7) | 0.037 (7) | 0.047 (8) | 0.011 (6) | 0.006 (6) | 0.007 (6) |
| C9 | 0.037 (10) | 0.029 (9) | 0.047 (10) | 0.012 (8) | 0.003 (8) | 0.026 (8) |
| C10 | 0.055 (12) | 0.051 (11) | 0.070 (12) | 0.044 (10) | 0.045 (10) | 0.021 (10) |
| C11 | 0.076 (13) | 0.060 (12) | 0.040 (10) | 0.062 (11) | 0.026 (10) | 0.026 (9) |
| C12 | 0.053 (13) | 0.045 (12) | 0.063 (12) | 0.021 (11) | −0.005 (10) | 0.019 (10) |
| C13 | 0.020 (9) | 0.030 (10) | 0.054 (11) | −0.005 (8) | 0.000 (8) | 0.018 (9) |
| C14 | 0.046 (11) | 0.036 (10) | 0.037 (9) | 0.020 (9) | 0.027 (8) | 0.007 (8) |
| C15 | 0.047 (11) | 0.050 (11) | 0.048 (10) | 0.019 (9) | 0.017 (9) | 0.034 (9) |
| C16 | 0.044 (11) | 0.037 (10) | 0.032 (9) | 0.011 (9) | 0.018 (8) | 0.018 (8) |
| C17 | 0.049 (12) | 0.071 (13) | 0.044 (11) | 0.044 (11) | −0.012 (9) | 0.010 (10) |
| C18 | 0.030 (10) | 0.052 (11) | 0.036 (10) | 0.020 (9) | 0.001 (8) | 0.012 (9) |
| Rb4 | 0.0284 (9) | 0.0277 (9) | 0.0312 (8) | 0.0145 (7) | 0.0075 (7) | 0.0053 (7) |
| N3 | 0.051 (9) | 0.028 (7) | 0.040 (8) | 0.028 (7) | 0.018 (7) | 0.021 (7) |
| N4 | 0.058 (9) | 0.025 (7) | 0.020 (7) | 0.018 (7) | 0.022 (6) | 0.012 (6) |
| O7 | 0.038 (7) | 0.045 (7) | 0.021 (6) | 0.025 (6) | 0.010 (5) | 0.008 (5) |
| O8 | 0.053 (7) | 0.037 (6) | 0.036 (6) | 0.033 (6) | 0.014 (5) | 0.015 (5) |
| O9 | 0.030 (6) | 0.019 (6) | 0.046 (6) | 0.009 (5) | 0.007 (5) | 0.005 (5) |
| O10 | 0.025 (6) | 0.019 (6) | 0.032 (6) | 0.001 (5) | −0.005 (5) | −0.006 (5) |
| O11 | 0.040 (7) | 0.031 (6) | 0.036 (6) | 0.011 (5) | 0.014 (5) | 0.005 (5) |
| O12 | 0.033 (6) | 0.022 (6) | 0.038 (6) | 0.007 (5) | 0.017 (5) | 0.016 (5) |
| C19 | 0.018 (8) | 0.056 (11) | 0.026 (8) | 0.020 (8) | 0.003 (7) | 0.001 (8) |
| C20 | 0.045 (11) | 0.044 (10) | 0.023 (9) | 0.030 (9) | −0.001 (8) | 0.001 (8) |
| C21 | 0.027 (9) | 0.022 (8) | 0.024 (8) | 0.000 (7) | 0.011 (7) | −0.001 (7) |
| C22 | 0.029 (9) | 0.019 (8) | 0.046 (10) | 0.013 (7) | 0.008 (8) | 0.003 (8) |
| C23 | 0.028 (10) | 0.037 (10) | 0.064 (11) | 0.012 (8) | 0.036 (9) | 0.016 (9) |
| C24 | 0.035 (9) | 0.031 (9) | 0.035 (9) | 0.020 (8) | 0.015 (7) | 0.019 (8) |
| C25 | 0.051 (11) | 0.042 (10) | 0.039 (9) | 0.034 (10) | 0.005 (8) | −0.004 (9) |
| C26 | 0.043 (8) | 0.033 (7) | 0.041 (7) | 0.032 (6) | 0.005 (6) | −0.001 (6) |
| C27 | 0.066 (13) | 0.016 (9) | 0.035 (9) | 0.015 (9) | −0.014 (9) | 0.003 (8) |
| C28 | 0.023 (9) | 0.039 (10) | 0.046 (10) | 0.007 (8) | 0.005 (8) | 0.011 (9) |
| C29 | 0.041 (8) | 0.034 (7) | 0.024 (7) | 0.012 (6) | 0.017 (6) | 0.020 (6) |
| C30 | 0.042 (10) | 0.042 (10) | 0.056 (11) | 0.017 (9) | 0.037 (9) | 0.032 (9) |
| C31 | 0.031 (10) | 0.056 (11) | 0.039 (10) | 0.019 (9) | 0.011 (8) | 0.000 (9) |
| C32 | 0.046 (10) | 0.048 (11) | 0.032 (9) | 0.025 (9) | 0.028 (8) | 0.016 (8) |
| C33 | 0.041 (8) | 0.044 (8) | 0.019 (7) | 0.012 (6) | 0.016 (6) | 0.005 (6) |
| C34 | 0.024 (9) | 0.036 (10) | 0.041 (9) | 0.015 (8) | 0.007 (7) | 0.014 (8) |
| C35 | 0.082 (14) | 0.049 (11) | 0.039 (10) | 0.046 (11) | 0.027 (9) | 0.017 (9) |
| C36 | 0.053 (11) | 0.037 (10) | 0.043 (10) | 0.039 (9) | 0.022 (8) | 0.015 (8) |
| Rb5 | 0.0317 (9) | 0.0231 (8) | 0.0315 (8) | 0.0122 (7) | 0.0120 (7) | 0.0075 (7) |
| N5 | 0.037 (8) | 0.023 (7) | 0.035 (8) | 0.007 (7) | −0.001 (7) | −0.007 (6) |
| N6 | 0.029 (8) | 0.032 (8) | 0.045 (8) | 0.024 (6) | 0.014 (6) | 0.021 (7) |
| O13 | 0.037 (6) | 0.019 (6) | 0.056 (7) | 0.013 (5) | 0.025 (5) | 0.010 (5) |
| O14 | 0.039 (6) | 0.024 (6) | 0.048 (6) | 0.028 (5) | 0.011 (5) | 0.010 (5) |
| O15 | 0.017 (5) | 0.038 (6) | 0.030 (6) | 0.010 (5) | 0.000 (4) | 0.008 (5) |
| O16 | 0.027 (6) | 0.028 (6) | 0.042 (6) | 0.015 (5) | 0.011 (5) | 0.007 (5) |
| O17 | 0.048 (7) | 0.039 (6) | 0.017 (5) | 0.024 (6) | 0.010 (5) | 0.000 (5) |
| O18 | 0.041 (6) | 0.019 (6) | 0.026 (6) | 0.013 (5) | 0.004 (5) | 0.004 (5) |
| C37 | 0.053 (11) | 0.037 (10) | 0.053 (11) | 0.035 (9) | 0.034 (9) | 0.013 (9) |
| C38 | 0.073 (13) | 0.026 (10) | 0.057 (11) | 0.038 (10) | 0.022 (10) | 0.001 (9) |
| C39 | 0.041 (10) | 0.023 (9) | 0.042 (10) | 0.007 (8) | 0.017 (8) | −0.001 (8) |
| C40 | 0.042 (10) | 0.029 (9) | 0.024 (8) | 0.012 (8) | 0.016 (7) | 0.006 (7) |
| C41 | 0.040 (10) | 0.065 (12) | 0.042 (10) | 0.041 (10) | 0.016 (8) | 0.018 (9) |
| C42 | 0.018 (9) | 0.031 (9) | 0.060 (11) | 0.013 (8) | 0.002 (8) | 0.015 (8) |
| C43 | 0.042 (10) | 0.022 (8) | 0.014 (8) | 0.002 (8) | 0.007 (7) | 0.009 (7) |
| C44 | 0.055 (11) | 0.033 (9) | 0.043 (10) | 0.031 (9) | 0.034 (9) | 0.021 (8) |
| C45 | 0.031 (7) | 0.017 (7) | 0.052 (8) | 0.002 (5) | 0.023 (6) | 0.007 (6) |
| C46 | 0.009 (8) | 0.039 (10) | 0.022 (8) | 0.001 (7) | 0.002 (6) | 0.011 (7) |
| C47 | 0.035 (9) | 0.016 (8) | 0.029 (8) | 0.014 (7) | 0.007 (7) | 0.003 (7) |
| C48 | 0.032 (7) | 0.023 (7) | 0.033 (7) | 0.023 (6) | 0.005 (5) | 0.011 (5) |
| C49 | 0.039 (10) | 0.061 (12) | 0.076 (12) | 0.040 (9) | 0.042 (9) | 0.050 (10) |
| C50 | 0.052 (8) | 0.028 (7) | 0.055 (8) | 0.026 (6) | 0.010 (6) | 0.024 (6) |
| C51 | 0.029 (10) | 0.084 (14) | 0.025 (9) | 0.023 (10) | 0.007 (8) | 0.022 (10) |
| C52 | 0.055 (11) | 0.025 (9) | 0.063 (12) | 0.014 (9) | 0.026 (10) | 0.027 (9) |
| C53 | 0.036 (7) | 0.010 (6) | 0.029 (7) | 0.006 (5) | 0.017 (6) | 0.003 (5) |
| C54 | 0.033 (10) | 0.036 (10) | 0.050 (10) | 0.016 (8) | 0.010 (8) | 0.029 (9) |
| Sn1—Sn2 | 2.9229 (14) | O11—C33 | 1.407 (14) |
| Sn1—Sn5 | 2.9387 (14) | O11—C32 | 1.448 (14) |
| Sn1—Sn4 | 2.9724 (15) | O12—C34 | 1.403 (14) |
| Sn1—Sn8 | 2.9850 (14) | O12—C35 | 1.416 (15) |
| Sn1—Rb2 | 3.5976 (10) | C19—C20 | 1.508 (15) |
| Sn1—Sn3 | 4.2360 (14) | C19—H19A | 0.9900 |
| Sn2—Sn3 | 2.9404 (14) | C19—H19B | 0.9900 |
| Sn2—Sn5 | 2.9493 (14) | C20—H20A | 0.9900 |
| Sn2—Sn6 | 2.9644 (13) | C20—H20B | 0.9900 |
| Sn2—Sn4 | 4.0981 (14) | C21—C22 | 1.533 (16) |
| Sn3—Sn7 | 2.9549 (14) | C21—H21A | 0.9900 |
| Sn3—Sn4 | 2.9552 (14) | C21—H21B | 0.9900 |
| Sn3—Sn6 | 2.9777 (14) | C22—H22A | 0.9900 |
| Sn3—Rb1 | 3.7925 (9) | C22—H22B | 0.9900 |
| Sn4—Sn8 | 2.9527 (15) | C23—C24 | 1.472 (15) |
| Sn4—Sn7 | 2.9957 (14) | C23—H23A | 0.9900 |
| Sn4—Rb2 | 4.2008 (11) | C23—H23B | 0.9900 |
| Sn5—Sn9 | 2.9453 (14) | C24—H24A | 0.9900 |
| Sn5—Sn6 | 3.1249 (14) | C24—H24B | 0.9900 |
| Sn5—Sn8 | 3.3110 (15) | C25—C26 | 1.496 (17) |
| Sn6—Sn9 | 2.9283 (15) | C25—H25A | 0.9900 |
| Sn6—Sn7 | 3.2267 (14) | C25—H25B | 0.9900 |
| Sn6—Rb1 | 3.7460 (10) | C26—H26A | 0.9900 |
| Sn7—Sn9 | 2.9613 (15) | C26—H26B | 0.9900 |
| Sn7—Sn8 | 3.1741 (15) | C27—C28 | 1.540 (17) |
| Sn7—Rb1 | 4.1017 (11) | C27—H27A | 0.9900 |
| Sn8—Sn9 | 2.9327 (14) | C27—H27B | 0.9900 |
| Sn8—Rb2 | 3.8357 (10) | C28—H28A | 0.9900 |
| Rb3—O3 | 2.830 (9) | C28—H28B | 0.9900 |
| Rb3—O1 | 2.834 (8) | C29—C30 | 1.499 (16) |
| Rb3—O6 | 2.847 (9) | C29—H29A | 0.9900 |
| Rb3—O4 | 2.877 (9) | C29—H29B | 0.9900 |
| Rb3—O2 | 2.886 (9) | C30—H30A | 0.9900 |
| Rb3—O5 | 2.907 (10) | C30—H30B | 0.9900 |
| Rb3—N1 | 3.034 (10) | C31—C32 | 1.487 (16) |
| Rb3—N2 | 3.063 (11) | C31—H31A | 0.9900 |
| N1—C7 | 1.422 (15) | C31—H31B | 0.9900 |
| N1—C13 | 1.483 (16) | C32—H32A | 0.9900 |
| N1—C1 | 1.502 (14) | C32—H32B | 0.9900 |
| N2—C6 | 1.420 (15) | C33—C34 | 1.474 (17) |
| N2—C18 | 1.430 (15) | C33—H33A | 0.9900 |
| N2—C12 | 1.514 (18) | C33—H33B | 0.9900 |
| O1—C2 | 1.413 (14) | C34—H34A | 0.9900 |
| O1—C3 | 1.420 (13) | C34—H34B | 0.9900 |
| O2—C4 | 1.382 (13) | C35—C36 | 1.545 (17) |
| O2—C5 | 1.407 (14) | C35—H35A | 0.9900 |
| O3—C8 | 1.423 (12) | C35—H35B | 0.9900 |
| O3—C9 | 1.429 (15) | C36—H36A | 0.9900 |
| O4—C11 | 1.362 (13) | C36—H36B | 0.9900 |
| O4—C10 | 1.411 (15) | Rb5—O13 | 2.858 (9) |
| O5—C15 | 1.411 (13) | Rb5—O15 | 2.875 (8) |
| O5—C14 | 1.432 (13) | Rb5—O18 | 2.880 (8) |
| O6—C16 | 1.392 (15) | Rb5—O14 | 2.882 (9) |
| O6—C17 | 1.412 (15) | Rb5—O16 | 2.897 (8) |
| C1—C2 | 1.579 (16) | Rb5—O17 | 2.915 (8) |
| C1—H1A | 0.9900 | Rb5—N6 | 2.929 (10) |
| C1—H1B | 0.9900 | Rb5—N5 | 2.963 (11) |
| C2—H2A | 0.9900 | N5—C37 | 1.411 (14) |
| C2—H2B | 0.9900 | N5—C43 | 1.451 (15) |
| C3—C4 | 1.539 (16) | N5—C49 | 1.477 (14) |
| C3—H3A | 0.9900 | N6—C48 | 1.446 (13) |
| C3—H3B | 0.9900 | N6—C42 | 1.479 (15) |
| C4—H4A | 0.9900 | N6—C54 | 1.487 (15) |
| C4—H4B | 0.9900 | O13—C38 | 1.367 (14) |
| C5—C6 | 1.532 (16) | O13—C39 | 1.396 (14) |
| C5—H5A | 0.9900 | O14—C41 | 1.389 (14) |
| C5—H5B | 0.9900 | O14—C40 | 1.396 (13) |
| C6—H6A | 0.9900 | O15—C45 | 1.366 (13) |
| C6—H6B | 0.9900 | O15—C44 | 1.452 (13) |
| C7—C8 | 1.508 (17) | O16—C46 | 1.398 (13) |
| C7—H7A | 0.9900 | O16—C47 | 1.419 (13) |
| C7—H7B | 0.9900 | O17—C51 | 1.419 (15) |
| C8—H8A | 0.9900 | O17—C50 | 1.420 (14) |
| C8—H8B | 0.9900 | O18—C53 | 1.412 (13) |
| C9—C10 | 1.537 (15) | O18—C52 | 1.427 (13) |
| C9—H9A | 0.9900 | C37—C38 | 1.524 (17) |
| C9—H9B | 0.9900 | C37—H37A | 0.9900 |
| C10—H10A | 0.9900 | C37—H37B | 0.9900 |
| C10—H10B | 0.9900 | C38—H38A | 0.9900 |
| C11—C12 | 1.514 (18) | C38—H38B | 0.9900 |
| C11—H11A | 0.9900 | C39—C40 | 1.486 (16) |
| C11—H11B | 0.9900 | C39—H39A | 0.9900 |
| C12—H12A | 0.9900 | C39—H39B | 0.9900 |
| C12—H12B | 0.9900 | C40—H40A | 0.9900 |
| C13—C14 | 1.460 (15) | C40—H40B | 0.9900 |
| C13—H13A | 0.9900 | C41—C42 | 1.483 (16) |
| C13—H13B | 0.9900 | C41—H41A | 0.9900 |
| C14—H14A | 0.9900 | C41—H41B | 0.9900 |
| C14—H14B | 0.9900 | C42—H42A | 0.9900 |
| C15—C16 | 1.504 (16) | C42—H42B | 0.9900 |
| C15—H15A | 0.9900 | C43—C44 | 1.472 (15) |
| C15—H15B | 0.9900 | C43—H43A | 0.9900 |
| C16—H16A | 0.9900 | C43—H43B | 0.9900 |
| C16—H16B | 0.9900 | C44—H44A | 0.9900 |
| C17—C18 | 1.492 (17) | C44—H44B | 0.9900 |
| C17—H17A | 0.9900 | C45—C46 | 1.484 (16) |
| C17—H17B | 0.9900 | C45—H45A | 0.9900 |
| C18—H18A | 0.9900 | C45—H45B | 0.9900 |
| C18—H18B | 0.9900 | C46—H46A | 0.9900 |
| Rb4—O9 | 2.845 (8) | C46—H46B | 0.9900 |
| Rb4—O7 | 2.848 (8) | C47—C48 | 1.504 (15) |
| Rb4—O12 | 2.869 (8) | C47—H47A | 0.9900 |
| Rb4—O10 | 2.909 (8) | C47—H47B | 0.9900 |
| Rb4—O11 | 2.914 (9) | C48—H48A | 0.9900 |
| Rb4—O8 | 2.914 (9) | C48—H48B | 0.9900 |
| Rb4—N3 | 2.983 (11) | C49—C50 | 1.466 (16) |
| Rb4—N4 | 3.030 (12) | C49—H49A | 0.9900 |
| N3—C25 | 1.440 (14) | C49—H49B | 0.9900 |
| N3—C31 | 1.465 (15) | C50—H50A | 0.9900 |
| N3—C19 | 1.476 (13) | C50—H50B | 0.9900 |
| N4—C24 | 1.433 (14) | C51—C52 | 1.488 (17) |
| N4—C36 | 1.447 (13) | C51—H51A | 0.9900 |
| N4—C30 | 1.455 (14) | C51—H51B | 0.9900 |
| O7—C21 | 1.355 (12) | C52—H52A | 0.9900 |
| O7—C20 | 1.431 (15) | C52—H52B | 0.9900 |
| O8—C22 | 1.415 (13) | C53—C54 | 1.457 (14) |
| O8—C23 | 1.425 (14) | C53—H53A | 0.9900 |
| O9—C26 | 1.428 (13) | C53—H53B | 0.9900 |
| O9—C27 | 1.456 (15) | C54—H54A | 0.9900 |
| O10—C28 | 1.370 (14) | C54—H54B | 0.9900 |
| O10—C29 | 1.411 (14) | ||
| Sn2—Sn1—Sn5 | 60.42 (3) | O9—Rb4—O8 | 135.0 (3) |
| Sn2—Sn1—Sn4 | 88.07 (4) | O7—Rb4—O8 | 59.5 (3) |
| Sn5—Sn1—Sn4 | 106.08 (4) | O12—Rb4—O8 | 100.6 (2) |
| Sn2—Sn1—Sn8 | 105.93 (4) | O10—Rb4—O8 | 94.1 (3) |
| Sn5—Sn1—Sn8 | 67.96 (3) | O11—Rb4—O8 | 120.8 (2) |
| Sn4—Sn1—Sn8 | 59.42 (3) | O9—Rb4—N3 | 60.5 (3) |
| Sn2—Sn1—Rb2 | 166.42 (4) | O7—Rb4—N3 | 61.1 (3) |
| Sn5—Sn1—Rb2 | 126.75 (4) | O12—Rb4—N3 | 118.4 (3) |
| Sn4—Sn1—Rb2 | 78.86 (3) | O10—Rb4—N3 | 119.4 (3) |
| Sn8—Sn1—Rb2 | 70.58 (3) | O11—Rb4—N3 | 60.7 (3) |
| Sn2—Sn1—Sn3 | 43.91 (3) | O8—Rb4—N3 | 119.3 (3) |
| Sn5—Sn1—Sn3 | 79.76 (3) | O9—Rb4—N4 | 119.3 (3) |
| Sn4—Sn1—Sn3 | 44.23 (3) | O7—Rb4—N4 | 119.7 (3) |
| Sn8—Sn1—Sn3 | 79.25 (3) | O12—Rb4—N4 | 61.0 (3) |
| Rb2—Sn1—Sn3 | 123.08 (3) | O10—Rb4—N4 | 60.6 (3) |
| Sn1—Sn2—Sn3 | 92.51 (4) | O11—Rb4—N4 | 118.7 (3) |
| Sn1—Sn2—Sn5 | 60.06 (3) | O8—Rb4—N4 | 61.5 (3) |
| Sn3—Sn2—Sn5 | 106.10 (4) | N3—Rb4—N4 | 179.2 (3) |
| Sn1—Sn2—Sn6 | 105.01 (4) | C25—N3—C31 | 109.2 (11) |
| Sn3—Sn2—Sn6 | 60.57 (3) | C25—N3—C19 | 109.6 (10) |
| Sn5—Sn2—Sn6 | 63.80 (3) | C31—N3—C19 | 109.2 (11) |
| Sn1—Sn2—Sn4 | 46.46 (3) | C25—N3—Rb4 | 109.1 (8) |
| Sn3—Sn2—Sn4 | 46.11 (3) | C31—N3—Rb4 | 109.7 (8) |
| Sn5—Sn2—Sn4 | 82.44 (3) | C19—N3—Rb4 | 110.1 (8) |
| Sn6—Sn2—Sn4 | 81.83 (3) | C24—N4—C36 | 109.4 (10) |
| Sn2—Sn3—Sn7 | 105.68 (4) | C24—N4—C30 | 112.4 (10) |
| Sn2—Sn3—Sn4 | 88.07 (4) | C36—N4—C30 | 110.9 (11) |
| Sn7—Sn3—Sn4 | 60.91 (3) | C24—N4—Rb4 | 106.5 (8) |
| Sn2—Sn3—Sn6 | 60.12 (3) | C36—N4—Rb4 | 108.9 (8) |
| Sn7—Sn3—Sn6 | 65.90 (3) | C30—N4—Rb4 | 108.5 (8) |
| Sn4—Sn3—Sn6 | 104.91 (4) | C21—O7—C20 | 110.4 (9) |
| Sn2—Sn3—Rb1 | 119.31 (3) | C21—O7—Rb4 | 116.7 (8) |
| Sn7—Sn3—Rb1 | 73.70 (3) | C20—O7—Rb4 | 113.2 (7) |
| Sn4—Sn3—Rb1 | 132.27 (4) | C22—O8—C23 | 114.9 (11) |
| Sn6—Sn3—Rb1 | 65.91 (3) | C22—O8—Rb4 | 109.8 (7) |
| Sn2—Sn3—Sn1 | 43.58 (3) | C23—O8—Rb4 | 111.3 (7) |
| Sn7—Sn3—Sn1 | 80.14 (3) | C26—O9—C27 | 111.2 (10) |
| Sn4—Sn3—Sn1 | 44.55 (3) | C26—O9—Rb4 | 117.0 (7) |
| Sn6—Sn3—Sn1 | 78.59 (3) | C27—O9—Rb4 | 113.6 (7) |
| Rb1—Sn3—Sn1 | 142.08 (3) | C28—O10—C29 | 108.5 (10) |
| Sn8—Sn4—Sn3 | 105.57 (4) | C28—O10—Rb4 | 113.6 (8) |
| Sn8—Sn4—Sn1 | 60.50 (4) | C29—O10—Rb4 | 111.3 (7) |
| Sn3—Sn4—Sn1 | 91.22 (4) | C33—O11—C32 | 113.4 (10) |
| Sn8—Sn4—Sn7 | 64.49 (4) | C33—O11—Rb4 | 114.6 (8) |
| Sn3—Sn4—Sn7 | 59.54 (3) | C32—O11—Rb4 | 114.0 (8) |
| Sn1—Sn4—Sn7 | 104.90 (4) | C34—O12—C35 | 110.2 (10) |
| Sn8—Sn4—Sn2 | 82.24 (3) | C34—O12—Rb4 | 117.2 (7) |
| Sn3—Sn4—Sn2 | 45.81 (3) | C35—O12—Rb4 | 116.1 (8) |
| Sn1—Sn4—Sn2 | 45.47 (3) | N3—C19—C20 | 111.9 (11) |
| Sn7—Sn4—Sn2 | 81.35 (3) | N3—C19—H19A | 109.2 |
| Sn8—Sn4—Rb2 | 61.98 (3) | C20—C19—H19A | 109.2 |
| Sn3—Sn4—Rb2 | 148.37 (4) | N3—C19—H19B | 109.2 |
| Sn1—Sn4—Rb2 | 57.17 (3) | C20—C19—H19B | 109.2 |
| Sn7—Sn4—Rb2 | 125.08 (4) | H19A—C19—H19B | 107.9 |
| Sn2—Sn4—Rb2 | 102.56 (3) | O7—C20—C19 | 109.9 (11) |
| Sn1—Sn5—Sn9 | 107.87 (4) | O7—C20—H20A | 109.7 |
| Sn1—Sn5—Sn2 | 59.53 (3) | C19—C20—H20A | 109.7 |
| Sn9—Sn5—Sn2 | 109.20 (4) | O7—C20—H20B | 109.7 |
| Sn1—Sn5—Sn6 | 100.73 (4) | C19—C20—H20B | 109.7 |
| Sn9—Sn5—Sn6 | 57.60 (3) | H20A—C20—H20B | 108.2 |
| Sn2—Sn5—Sn6 | 58.34 (3) | O7—C21—C22 | 109.2 (10) |
| Sn1—Sn5—Sn8 | 56.68 (3) | O7—C21—H21A | 109.8 |
| Sn9—Sn5—Sn8 | 55.54 (3) | C22—C21—H21A | 109.8 |
| Sn2—Sn5—Sn8 | 97.60 (4) | O7—C21—H21B | 109.8 |
| Sn6—Sn5—Sn8 | 89.13 (4) | C22—C21—H21B | 109.8 |
| Sn9—Sn6—Sn2 | 109.25 (4) | H21A—C21—H21B | 108.3 |
| Sn9—Sn6—Sn3 | 108.76 (4) | O8—C22—C21 | 109.2 (11) |
| Sn2—Sn6—Sn3 | 59.32 (3) | O8—C22—H22A | 109.8 |
| Sn9—Sn6—Sn5 | 58.12 (3) | C21—C22—H22A | 109.8 |
| Sn2—Sn6—Sn5 | 57.87 (3) | O8—C22—H22B | 109.8 |
| Sn3—Sn6—Sn5 | 100.91 (4) | C21—C22—H22B | 109.8 |
| Sn9—Sn6—Sn7 | 57.27 (3) | H22A—C22—H22B | 108.3 |
| Sn2—Sn6—Sn7 | 98.65 (4) | O8—C23—C24 | 113.0 (11) |
| Sn3—Sn6—Sn7 | 56.71 (3) | O8—C23—H23A | 109.0 |
| Sn5—Sn6—Sn7 | 91.74 (4) | C24—C23—H23A | 109.0 |
| Sn9—Sn6—Rb1 | 112.40 (3) | O8—C23—H23B | 109.0 |
| Sn2—Sn6—Rb1 | 120.07 (4) | C24—C23—H23B | 109.0 |
| Sn3—Sn6—Rb1 | 67.56 (3) | H23A—C23—H23B | 107.8 |
| Sn5—Sn6—Rb1 | 163.05 (4) | N4—C24—C23 | 115.1 (11) |
| Sn7—Sn6—Rb1 | 71.63 (3) | N4—C24—H24A | 108.5 |
| Sn3—Sn7—Sn9 | 108.48 (4) | C23—C24—H24A | 108.5 |
| Sn3—Sn7—Sn4 | 59.55 (3) | N4—C24—H24B | 108.5 |
| Sn9—Sn7—Sn4 | 107.75 (4) | C23—C24—H24B | 108.5 |
| Sn3—Sn7—Sn8 | 100.23 (4) | H24A—C24—H24B | 107.5 |
| Sn9—Sn7—Sn8 | 56.98 (3) | N3—C25—C26 | 114.6 (12) |
| Sn4—Sn7—Sn8 | 57.10 (3) | N3—C25—H25A | 108.6 |
| Sn3—Sn7—Sn6 | 57.39 (3) | C26—C25—H25A | 108.6 |
| Sn9—Sn7—Sn6 | 56.29 (3) | N3—C25—H25B | 108.6 |
| Sn4—Sn7—Sn6 | 98.16 (4) | C26—C25—H25B | 108.6 |
| Sn8—Sn7—Sn6 | 89.80 (4) | H25A—C25—H25B | 107.6 |
| Sn3—Sn7—Rb1 | 62.56 (3) | O9—C26—C25 | 109.6 (11) |
| Sn9—Sn7—Rb1 | 102.78 (3) | O9—C26—H26A | 109.8 |
| Sn4—Sn7—Rb1 | 120.29 (4) | C25—C26—H26A | 109.8 |
| Sn8—Sn7—Rb1 | 149.75 (4) | O9—C26—H26B | 109.8 |
| Sn6—Sn7—Rb1 | 60.08 (2) | C25—C26—H26B | 109.8 |
| Sn9—Sn8—Sn4 | 109.68 (4) | H26A—C26—H26B | 108.2 |
| Sn9—Sn8—Sn1 | 106.97 (4) | O9—C27—C28 | 108.7 (10) |
| Sn4—Sn8—Sn1 | 60.08 (4) | O9—C27—H27A | 109.9 |
| Sn9—Sn8—Sn7 | 57.85 (3) | C28—C27—H27A | 109.9 |
| Sn4—Sn8—Sn7 | 58.41 (3) | O9—C27—H27B | 109.9 |
| Sn1—Sn8—Sn7 | 100.35 (4) | C28—C27—H27B | 109.9 |
| Sn9—Sn8—Sn5 | 55.90 (3) | H27A—C27—H27B | 108.3 |
| Sn4—Sn8—Sn5 | 97.73 (4) | O10—C28—C27 | 110.6 (11) |
| Sn1—Sn8—Sn5 | 55.36 (3) | O10—C28—H28A | 109.5 |
| Sn7—Sn8—Sn5 | 89.32 (4) | C27—C28—H28A | 109.5 |
| Sn9—Sn8—Rb2 | 164.75 (4) | O10—C28—H28B | 109.5 |
| Sn4—Sn8—Rb2 | 75.20 (3) | C27—C28—H28B | 109.5 |
| Sn1—Sn8—Rb2 | 62.20 (3) | H28A—C28—H28B | 108.1 |
| Sn7—Sn8—Rb2 | 132.01 (4) | O10—C29—C30 | 109.4 (11) |
| Sn5—Sn8—Rb2 | 109.68 (3) | O10—C29—H29A | 109.8 |
| Sn6—Sn9—Sn8 | 100.87 (4) | C30—C29—H29A | 109.8 |
| Sn6—Sn9—Sn5 | 64.28 (3) | O10—C29—H29B | 109.8 |
| Sn8—Sn9—Sn5 | 68.57 (3) | C30—C29—H29B | 109.8 |
| Sn6—Sn9—Sn7 | 66.44 (4) | H29A—C29—H29B | 108.2 |
| Sn8—Sn9—Sn7 | 65.17 (4) | N4—C30—C29 | 114.8 (11) |
| Sn5—Sn9—Sn7 | 101.06 (4) | N4—C30—H30A | 108.6 |
| Sn6—Rb1—Sn6i | 180.0 | C29—C30—H30A | 108.6 |
| Sn6—Rb1—Sn3 | 46.53 (2) | N4—C30—H30B | 108.6 |
| Sn6i—Rb1—Sn3 | 133.47 (2) | C29—C30—H30B | 108.6 |
| Sn6—Rb1—Sn3i | 133.47 (2) | H30A—C30—H30B | 107.5 |
| Sn6i—Rb1—Sn3i | 46.53 (2) | N3—C31—C32 | 114.2 (11) |
| Sn3—Rb1—Sn3i | 180.0 | N3—C31—H31A | 108.7 |
| Sn6—Rb1—Sn7 | 48.29 (2) | C32—C31—H31A | 108.7 |
| Sn6i—Rb1—Sn7 | 131.71 (2) | N3—C31—H31B | 108.7 |
| Sn3—Rb1—Sn7 | 43.75 (2) | C32—C31—H31B | 108.7 |
| Sn3i—Rb1—Sn7 | 136.26 (2) | H31A—C31—H31B | 107.6 |
| Sn6—Rb1—Sn7i | 131.71 (2) | O11—C32—C31 | 110.0 (11) |
| Sn6i—Rb1—Sn7i | 48.29 (2) | O11—C32—H32A | 109.7 |
| Sn3—Rb1—Sn7i | 136.25 (2) | C31—C32—H32A | 109.7 |
| Sn3i—Rb1—Sn7i | 43.75 (2) | O11—C32—H32B | 109.7 |
| Sn7—Rb1—Sn7i | 180.0 | C31—C32—H32B | 109.7 |
| Sn1—Rb2—Sn1ii | 180.0 | H32A—C32—H32B | 108.2 |
| Sn1—Rb2—Sn8ii | 132.78 (2) | O11—C33—C34 | 111.9 (11) |
| Sn1ii—Rb2—Sn8ii | 47.22 (2) | O11—C33—H33A | 109.2 |
| Sn1—Rb2—Sn8 | 47.22 (2) | C34—C33—H33A | 109.2 |
| Sn1ii—Rb2—Sn8 | 132.78 (2) | O11—C33—H33B | 109.2 |
| Sn8ii—Rb2—Sn8 | 180.0 | C34—C33—H33B | 109.2 |
| Sn1—Rb2—Sn4ii | 136.03 (2) | H33A—C33—H33B | 107.9 |
| Sn1ii—Rb2—Sn4ii | 43.97 (2) | O12—C34—C33 | 112.0 (11) |
| Sn8ii—Rb2—Sn4ii | 42.81 (2) | O12—C34—H34A | 109.2 |
| Sn8—Rb2—Sn4ii | 137.19 (2) | C33—C34—H34A | 109.2 |
| Sn1—Rb2—Sn4 | 43.97 (2) | O12—C34—H34B | 109.2 |
| Sn1ii—Rb2—Sn4 | 136.03 (2) | C33—C34—H34B | 109.2 |
| Sn8ii—Rb2—Sn4 | 137.19 (2) | H34A—C34—H34B | 107.9 |
| Sn8—Rb2—Sn4 | 42.81 (2) | O12—C35—C36 | 109.2 (11) |
| Sn4ii—Rb2—Sn4 | 180.0 | O12—C35—H35A | 109.8 |
| O3—Rb3—O1 | 96.0 (3) | C36—C35—H35A | 109.8 |
| O3—Rb3—O6 | 122.5 (3) | O12—C35—H35B | 109.8 |
| O1—Rb3—O6 | 136.2 (3) | C36—C35—H35B | 109.8 |
| O3—Rb3—O4 | 61.8 (3) | H35A—C35—H35B | 108.3 |
| O1—Rb3—O4 | 117.3 (3) | N4—C36—C35 | 116.3 (11) |
| O6—Rb3—O4 | 100.2 (3) | N4—C36—H36A | 108.2 |
| O3—Rb3—O2 | 137.2 (3) | C35—C36—H36A | 108.2 |
| O1—Rb3—O2 | 60.4 (3) | N4—C36—H36B | 108.2 |
| O6—Rb3—O2 | 95.8 (3) | C35—C36—H36B | 108.2 |
| O4—Rb3—O2 | 95.9 (3) | H36A—C36—H36B | 107.4 |
| O3—Rb3—O5 | 99.3 (2) | O13—Rb5—O15 | 99.4 (3) |
| O1—Rb3—O5 | 95.7 (3) | O13—Rb5—O18 | 143.0 (3) |
| O6—Rb3—O5 | 60.9 (3) | O15—Rb5—O18 | 113.2 (3) |
| O4—Rb3—O5 | 142.3 (3) | O13—Rb5—O14 | 58.0 (3) |
| O2—Rb3—O5 | 117.0 (3) | O15—Rb5—O14 | 139.6 (2) |
| O3—Rb3—N1 | 59.1 (3) | O18—Rb5—O14 | 101.6 (2) |
| O1—Rb3—N1 | 60.9 (3) | O13—Rb5—O16 | 115.9 (2) |
| O6—Rb3—N1 | 119.4 (3) | O15—Rb5—O16 | 58.8 (2) |
| O4—Rb3—N1 | 120.0 (3) | O18—Rb5—O16 | 96.4 (2) |
| O2—Rb3—N1 | 120.3 (3) | O14—Rb5—O16 | 98.7 (2) |
| O5—Rb3—N1 | 59.7 (3) | O13—Rb5—O17 | 100.7 (3) |
| O3—Rb3—N2 | 121.5 (3) | O15—Rb5—O17 | 96.8 (2) |
| O1—Rb3—N2 | 119.4 (3) | O18—Rb5—O17 | 59.8 (3) |
| O6—Rb3—N2 | 59.8 (3) | O14—Rb5—O17 | 118.8 (2) |
| O4—Rb3—N2 | 60.8 (3) | O16—Rb5—O17 | 137.8 (3) |
| O2—Rb3—N2 | 59.8 (3) | O13—Rb5—N6 | 119.2 (3) |
| O5—Rb3—N2 | 119.5 (3) | O15—Rb5—N6 | 117.9 (3) |
| N1—Rb3—N2 | 179.1 (3) | O18—Rb5—N6 | 60.5 (3) |
| C7—N1—C13 | 108.6 (10) | O14—Rb5—N6 | 62.6 (3) |
| C7—N1—C1 | 109.7 (11) | O16—Rb5—N6 | 60.9 (3) |
| C13—N1—C1 | 108.9 (11) | O17—Rb5—N6 | 118.8 (3) |
| C7—N1—Rb3 | 110.1 (7) | O13—Rb5—N5 | 61.3 (3) |
| C13—N1—Rb3 | 110.0 (8) | O15—Rb5—N5 | 61.5 (3) |
| C1—N1—Rb3 | 109.5 (7) | O18—Rb5—N5 | 119.5 (3) |
| C6—N2—C18 | 111.6 (11) | O14—Rb5—N5 | 117.9 (3) |
| C6—N2—C12 | 110.1 (13) | O16—Rb5—N5 | 118.5 (3) |
| C18—N2—C12 | 109.3 (11) | O17—Rb5—N5 | 61.4 (3) |
| C6—N2—Rb3 | 110.6 (8) | N6—Rb5—N5 | 179.4 (3) |
| C18—N2—Rb3 | 107.5 (8) | C37—N5—C43 | 112.2 (11) |
| C12—N2—Rb3 | 107.5 (8) | C37—N5—C49 | 108.2 (12) |
| C2—O1—C3 | 107.1 (10) | C43—N5—C49 | 108.6 (11) |
| C2—O1—Rb3 | 116.2 (8) | C37—N5—Rb5 | 108.9 (9) |
| C3—O1—Rb3 | 114.4 (7) | C43—N5—Rb5 | 109.9 (8) |
| C4—O2—C5 | 111.0 (11) | C49—N5—Rb5 | 109.1 (8) |
| C4—O2—Rb3 | 112.0 (7) | C48—N6—C42 | 111.3 (10) |
| C5—O2—Rb3 | 112.5 (7) | C48—N6—C54 | 111.6 (10) |
| C8—O3—C9 | 108.4 (10) | C42—N6—C54 | 108.7 (10) |
| C8—O3—Rb3 | 117.7 (7) | C48—N6—Rb5 | 108.9 (7) |
| C9—O3—Rb3 | 111.0 (7) | C42—N6—Rb5 | 105.8 (7) |
| C11—O4—C10 | 111.6 (11) | C54—N6—Rb5 | 110.4 (7) |
| C11—O4—Rb3 | 113.3 (8) | C38—O13—C39 | 110.0 (11) |
| C10—O4—Rb3 | 110.7 (7) | C38—O13—Rb5 | 115.5 (8) |
| C15—O5—C14 | 111.8 (10) | C39—O13—Rb5 | 119.9 (7) |
| C15—O5—Rb3 | 111.5 (8) | C41—O14—C40 | 112.9 (10) |
| C14—O5—Rb3 | 111.2 (8) | C41—O14—Rb5 | 114.4 (8) |
| C16—O6—C17 | 111.1 (11) | C40—O14—Rb5 | 114.7 (7) |
| C16—O6—Rb3 | 112.1 (8) | C45—O15—C44 | 111.1 (10) |
| C17—O6—Rb3 | 116.7 (8) | C45—O15—Rb5 | 114.1 (7) |
| N1—C1—C2 | 111.9 (10) | C44—O15—Rb5 | 112.4 (7) |
| N1—C1—H1A | 109.2 | C46—O16—C47 | 112.5 (10) |
| C2—C1—H1A | 109.2 | C46—O16—Rb5 | 114.6 (7) |
| N1—C1—H1B | 109.2 | C47—O16—Rb5 | 114.8 (7) |
| C2—C1—H1B | 109.2 | C51—O17—C50 | 115.1 (11) |
| H1A—C1—H1B | 107.9 | C51—O17—Rb5 | 111.3 (7) |
| O1—C2—C1 | 108.0 (11) | C50—O17—Rb5 | 114.3 (7) |
| O1—C2—H2A | 110.1 | C53—O18—C52 | 110.3 (9) |
| C1—C2—H2A | 110.1 | C53—O18—Rb5 | 116.3 (7) |
| O1—C2—H2B | 110.1 | C52—O18—Rb5 | 115.4 (7) |
| C1—C2—H2B | 110.1 | N5—C37—C38 | 118.6 (12) |
| H2A—C2—H2B | 108.4 | N5—C37—H37A | 107.7 |
| O1—C3—C4 | 108.4 (11) | C38—C37—H37A | 107.7 |
| O1—C3—H3A | 110.0 | N5—C37—H37B | 107.7 |
| C4—C3—H3A | 110.0 | C38—C37—H37B | 107.7 |
| O1—C3—H3B | 110.0 | H37A—C37—H37B | 107.1 |
| C4—C3—H3B | 110.0 | O13—C38—C37 | 110.4 (12) |
| H3A—C3—H3B | 108.4 | O13—C38—H38A | 109.6 |
| O2—C4—C3 | 110.1 (11) | C37—C38—H38A | 109.6 |
| O2—C4—H4A | 109.6 | O13—C38—H38B | 109.6 |
| C3—C4—H4A | 109.6 | C37—C38—H38B | 109.6 |
| O2—C4—H4B | 109.6 | H38A—C38—H38B | 108.1 |
| C3—C4—H4B | 109.6 | O13—C39—C40 | 109.7 (12) |
| H4A—C4—H4B | 108.2 | O13—C39—H39A | 109.7 |
| O2—C5—C6 | 111.6 (12) | C40—C39—H39A | 109.7 |
| O2—C5—H5A | 109.3 | O13—C39—H39B | 109.7 |
| C6—C5—H5A | 109.3 | C40—C39—H39B | 109.7 |
| O2—C5—H5B | 109.3 | H39A—C39—H39B | 108.2 |
| C6—C5—H5B | 109.3 | O14—C40—C39 | 112.2 (11) |
| H5A—C5—H5B | 108.0 | O14—C40—H40A | 109.2 |
| N2—C6—C5 | 111.9 (12) | C39—C40—H40A | 109.2 |
| N2—C6—H6A | 109.2 | O14—C40—H40B | 109.2 |
| C5—C6—H6A | 109.2 | C39—C40—H40B | 109.2 |
| N2—C6—H6B | 109.2 | H40A—C40—H40B | 107.9 |
| C5—C6—H6B | 109.2 | O14—C41—C42 | 111.9 (11) |
| H6A—C6—H6B | 107.9 | O14—C41—H41A | 109.2 |
| N1—C7—C8 | 113.7 (11) | C42—C41—H41A | 109.2 |
| N1—C7—H7A | 108.8 | O14—C41—H41B | 109.2 |
| C8—C7—H7A | 108.8 | C42—C41—H41B | 109.2 |
| N1—C7—H7B | 108.8 | H41A—C41—H41B | 107.9 |
| C8—C7—H7B | 108.8 | N6—C42—C41 | 116.9 (11) |
| H7A—C7—H7B | 107.7 | N6—C42—H42A | 108.1 |
| O3—C8—C7 | 108.0 (11) | C41—C42—H42A | 108.1 |
| O3—C8—H8A | 110.1 | N6—C42—H42B | 108.1 |
| C7—C8—H8A | 110.1 | C41—C42—H42B | 108.1 |
| O3—C8—H8B | 110.1 | H42A—C42—H42B | 107.3 |
| C7—C8—H8B | 110.1 | N5—C43—C44 | 114.3 (10) |
| H8A—C8—H8B | 108.4 | N5—C43—H43A | 108.7 |
| O3—C9—C10 | 108.2 (11) | C44—C43—H43A | 108.7 |
| O3—C9—H9A | 110.1 | N5—C43—H43B | 108.7 |
| C10—C9—H9A | 110.1 | C44—C43—H43B | 108.7 |
| O3—C9—H9B | 110.1 | H43A—C43—H43B | 107.6 |
| C10—C9—H9B | 110.1 | O15—C44—C43 | 111.7 (11) |
| H9A—C9—H9B | 108.4 | O15—C44—H44A | 109.3 |
| O4—C10—C9 | 109.9 (11) | C43—C44—H44A | 109.3 |
| O4—C10—H10A | 109.7 | O15—C44—H44B | 109.3 |
| C9—C10—H10A | 109.7 | C43—C44—H44B | 109.3 |
| O4—C10—H10B | 109.7 | H44A—C44—H44B | 107.9 |
| C9—C10—H10B | 109.7 | O15—C45—C46 | 112.0 (11) |
| H10A—C10—H10B | 108.2 | O15—C45—H45A | 109.2 |
| O4—C11—C12 | 111.4 (12) | C46—C45—H45A | 109.2 |
| O4—C11—H11A | 109.3 | O15—C45—H45B | 109.2 |
| C12—C11—H11A | 109.3 | C46—C45—H45B | 109.2 |
| O4—C11—H11B | 109.3 | H45A—C45—H45B | 107.9 |
| C12—C11—H11B | 109.3 | O16—C46—C45 | 109.7 (11) |
| H11A—C11—H11B | 108.0 | O16—C46—H46A | 109.7 |
| N2—C12—C11 | 113.5 (13) | C45—C46—H46A | 109.7 |
| N2—C12—H12A | 108.9 | O16—C46—H46B | 109.7 |
| C11—C12—H12A | 108.9 | C45—C46—H46B | 109.7 |
| N2—C12—H12B | 108.9 | H46A—C46—H46B | 108.2 |
| C11—C12—H12B | 108.9 | O16—C47—C48 | 108.1 (10) |
| H12A—C12—H12B | 107.7 | O16—C47—H47A | 110.1 |
| C14—C13—N1 | 112.1 (12) | C48—C47—H47A | 110.1 |
| C14—C13—H13A | 109.2 | O16—C47—H47B | 110.1 |
| N1—C13—H13A | 109.2 | C48—C47—H47B | 110.1 |
| C14—C13—H13B | 109.2 | H47A—C47—H47B | 108.4 |
| N1—C13—H13B | 109.2 | N6—C48—C47 | 114.7 (10) |
| H13A—C13—H13B | 107.9 | N6—C48—H48A | 108.6 |
| O5—C14—C13 | 109.9 (11) | C47—C48—H48A | 108.6 |
| O5—C14—H14A | 109.7 | N6—C48—H48B | 108.6 |
| C13—C14—H14A | 109.7 | C47—C48—H48B | 108.6 |
| O5—C14—H14B | 109.7 | H48A—C48—H48B | 107.6 |
| C13—C14—H14B | 109.7 | C50—C49—N5 | 116.2 (11) |
| H14A—C14—H14B | 108.2 | C50—C49—H49A | 108.2 |
| O5—C15—C16 | 110.0 (11) | N5—C49—H49A | 108.2 |
| O5—C15—H15A | 109.7 | C50—C49—H49B | 108.2 |
| C16—C15—H15A | 109.7 | N5—C49—H49B | 108.2 |
| O5—C15—H15B | 109.7 | H49A—C49—H49B | 107.4 |
| C16—C15—H15B | 109.7 | O17—C50—C49 | 112.7 (12) |
| H15A—C15—H15B | 108.2 | O17—C50—H50A | 109.1 |
| O6—C16—C15 | 112.2 (13) | C49—C50—H50A | 109.1 |
| O6—C16—H16A | 109.2 | O17—C50—H50B | 109.1 |
| C15—C16—H16A | 109.2 | C49—C50—H50B | 109.1 |
| O6—C16—H16B | 109.2 | H50A—C50—H50B | 107.8 |
| C15—C16—H16B | 109.2 | O17—C51—C52 | 112.4 (12) |
| H16A—C16—H16B | 107.9 | O17—C51—H51A | 109.1 |
| O6—C17—C18 | 109.4 (12) | C52—C51—H51A | 109.1 |
| O6—C17—H17A | 109.8 | O17—C51—H51B | 109.1 |
| C18—C17—H17A | 109.8 | C52—C51—H51B | 109.1 |
| O6—C17—H17B | 109.8 | H51A—C51—H51B | 107.9 |
| C18—C17—H17B | 109.8 | O18—C52—C51 | 108.6 (11) |
| H17A—C17—H17B | 108.2 | O18—C52—H52A | 110.0 |
| N2—C18—C17 | 114.9 (12) | C51—C52—H52A | 110.0 |
| N2—C18—H18A | 108.5 | O18—C52—H52B | 110.0 |
| C17—C18—H18A | 108.5 | C51—C52—H52B | 110.0 |
| N2—C18—H18B | 108.5 | H52A—C52—H52B | 108.3 |
| C17—C18—H18B | 108.5 | O18—C53—C54 | 109.4 (10) |
| H18A—C18—H18B | 107.5 | O18—C53—H53A | 109.8 |
| O9—Rb4—O7 | 94.6 (3) | C54—C53—H53A | 109.8 |
| O9—Rb4—O12 | 119.1 (2) | O18—C53—H53B | 109.8 |
| O7—Rb4—O12 | 141.6 (2) | C54—C53—H53B | 109.8 |
| O9—Rb4—O10 | 60.3 (3) | H53A—C53—H53B | 108.2 |
| O7—Rb4—O10 | 112.6 (2) | C53—C54—N6 | 116.3 (11) |
| O12—Rb4—O10 | 100.5 (2) | C53—C54—H54A | 108.2 |
| O9—Rb4—O11 | 98.7 (3) | N6—C54—H54A | 108.2 |
| O7—Rb4—O11 | 101.1 (3) | C53—C54—H54B | 108.2 |
| O12—Rb4—O11 | 58.7 (3) | N6—C54—H54B | 108.2 |
| O10—Rb4—O11 | 140.8 (2) | H54A—C54—H54B | 107.4 |