| Literature DB >> 21201301 |
Filipe A Almeida Paz, Jacek Klinowski.
Abstract
In the title compound, {[Ho(4)(C(12)H(6)O(4))(6)(H(2)O)(5)]·1.75H(2)O}(n), which is isostructural with its Tb(3+)- and Eu(3+)-containing analogues, there are four crystallographically independent Ho(3+) centres, each exhibiting a highly distorted HoO(8) bicapped trigonal-prismatic coordination environment. Adjacent polyhedra are inter-connected via the carboxyl-ate groups and one μ(2)-bridging water mol-ecule, forming one-dimensional chains propagating along [100]. The naphthalene-2,6-dicarboxylate ligands further inter-connect these chains into a three-dimensional framework, which has zigzag channels housing the water mol-ecules. Two naphthalene-2,6-dicarboxylate bridging ligands have their centroids located on crystallographic centres of inversion. One water O atom has a fixed site occupancy factor of 0.75.Entities:
Year: 2008 PMID: 21201301 PMCID: PMC2960446 DOI: 10.1107/S1600536808000378
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ho4(C12H6O4)6(H2O5)5]·1.75H2O | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 70959 reflections |
| θ = 1.0–25.0° | |
| µ = 5.16 mm−1 | |
| β = 106.126 (1)° | Plate, colourless |
| 0.12 × 0.12 × 0.01 mm | |
| Nonius Kappa CCD diffractometer | 7421 reflections with |
| Radiation source: fine-focus sealed tube | |
| Thin slice ω and φ scans | θmax = 25.0°, θmin = 3.6° |
| Absorption correction: multi-scan ( | |
| 27842 measured reflections | |
| 10664 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 | |
| 10664 reflections | (Δ/σ)max = 0.001 |
| 951 parameters | Δρmax = 9.73 e Å−3 |
| 4 restraints | Δρmin = −2.01 e Å−3 |
| Experimental. See dedicated section in the main paper |
| 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 |
| Occ. (<1) | |||||
| Ho1 | 0.43036 (3) | 0.43328 (3) | 0.74931 (2) | 0.01641 (16) | |
| Ho2 | 0.73944 (3) | 0.44550 (4) | 0.75148 (2) | 0.01864 (16) | |
| Ho3 | 0.94596 (3) | 0.31502 (3) | 0.75250 (2) | 0.01782 (16) | |
| Ho4 | 1.22082 (3) | 0.30713 (4) | 0.74454 (2) | 0.02020 (16) | |
| O1W | 0.5958 (6) | 0.2081 (11) | 0.7441 (7) | 0.108 (5)* | |
| O2W | 0.4125 (5) | 0.5883 (5) | 0.7439 (4) | 0.028 (2) | |
| O3W | 0.7616 (5) | 0.6017 (6) | 0.7697 (4) | 0.039 (2) | |
| O4W | 0.9089 (5) | 0.1577 (5) | 0.7388 (3) | 0.0251 (18) | |
| O5W | 1.0839 (4) | 0.3895 (5) | 0.7479 (3) | 0.0263 (19)* | |
| O6W | 1.2552 (6) | 0.1500 (7) | 0.7565 (4) | 0.046 (3) | |
| O7W | 0.0661 (11) | 0.6098 (13) | 0.7506 (7) | 0.080 (5)* | 0.75 |
| O1 | 0.5535 (5) | 0.4870 (6) | 0.8042 (3) | 0.0273 (19) | |
| O2 | 0.6872 (5) | 0.4687 (6) | 0.8260 (4) | 0.030 (2) | |
| O3 | 0.6279 (5) | 0.5218 (5) | 1.1807 (3) | 0.0226 (18) | |
| O4 | 0.7584 (5) | 0.5611 (5) | 1.2030 (3) | 0.0265 (19) | |
| O5 | 0.4886 (5) | 0.4701 (6) | 0.6805 (3) | 0.0274 (19) | |
| O6 | 0.6189 (5) | 0.5100 (5) | 0.7000 (3) | 0.0251 (18) | |
| O7 | 0.7555 (5) | 0.3124 (5) | 0.8006 (3) | 0.0257 (19) | |
| O8 | 0.8854 (5) | 0.2691 (5) | 0.8246 (3) | 0.0224 (17) | |
| O9 | 0.7805 (5) | 0.2343 (6) | 1.1724 (3) | 0.0272 (19) | |
| O10 | 0.9123 (5) | 0.1926 (5) | 1.1948 (3) | 0.0271 (19) | |
| O11 | 0.8714 (5) | 0.4522 (5) | 0.8033 (3) | 0.0221 (18) | |
| O12 | 0.9998 (5) | 0.4138 (6) | 0.8254 (3) | 0.0263 (19) | |
| O13 | 0.7983 (5) | 0.4924 (6) | 0.6817 (3) | 0.0286 (19) | |
| O14 | 0.9277 (5) | 0.4469 (5) | 0.7005 (3) | 0.0255 (19) | |
| O15 | 0.7017 (5) | 0.5512 (6) | 0.3068 (3) | 0.029 (2) | |
| O16 | 0.8295 (5) | 0.5917 (6) | 0.3278 (3) | 0.0275 (19) | |
| O17 | 1.0540 (4) | 0.2363 (5) | 0.8072 (3) | 0.0193 (17) | |
| O18 | 1.1862 (5) | 0.2690 (6) | 0.8260 (3) | 0.0255 (19) | |
| O19 | 1.1803 (5) | 0.1574 (6) | 1.1822 (3) | 0.0244 (18) | |
| O20 | 1.3118 (5) | 0.1900 (5) | 1.2001 (3) | 0.0279 (19) | |
| O21 | 0.9784 (4) | 0.2705 (6) | 0.6730 (3) | 0.0237 (18) | |
| O22 | 1.1109 (4) | 0.2322 (5) | 0.6914 (3) | 0.0205 (17) | |
| O23 | 0.8546 (5) | 0.2013 (5) | 0.2970 (3) | 0.029 (2) | |
| O24 | 0.9861 (5) | 0.1763 (6) | 0.3129 (3) | 0.027 (2) | |
| C1 | 0.6227 (6) | 0.4803 (8) | 0.8388 (5) | 0.018 (2) | |
| C2 | 0.6267 (7) | 0.4936 (7) | 0.8990 (5) | 0.017 (2) | |
| C3 | 0.6942 (6) | 0.4698 (7) | 0.9413 (5) | 0.017 (2) | |
| H3 | 0.7390 | 0.4426 | 0.9321 | 0.020* | |
| C4 | 0.6985 (6) | 0.4851 (8) | 0.9988 (5) | 0.018 (2) | |
| C5 | 0.7657 (7) | 0.4613 (7) | 1.0441 (5) | 0.018 (2) | |
| H5 | 0.8115 | 0.4337 | 1.0367 | 0.021* | |
| C6 | 0.7666 (7) | 0.4770 (8) | 1.0988 (5) | 0.021 (3) | |
| H6 | 0.8137 | 0.4634 | 1.1284 | 0.025* | |
| C7 | 0.6966 (7) | 0.5137 (7) | 1.1106 (5) | 0.019 (2) | |
| C8 | 0.6950 (7) | 0.5322 (8) | 1.1689 (5) | 0.023 (3) | |
| C9 | 0.6303 (7) | 0.5372 (7) | 1.0675 (5) | 0.017 (2) | |
| H9 | 0.5837 | 0.5621 | 1.0756 | 0.021* | |
| C10 | 0.6301 (6) | 0.5250 (7) | 1.0112 (4) | 0.013 (2) | |
| C11 | 0.5608 (7) | 0.5494 (7) | 0.9665 (5) | 0.019 (2) | |
| H11 | 0.5152 | 0.5765 | 0.9746 | 0.023* | |
| C12 | 0.5597 (6) | 0.5342 (7) | 0.9130 (5) | 0.016 (2) | |
| H12 | 0.5131 | 0.5510 | 0.8839 | 0.019* | |
| C13 | 0.5503 (6) | 0.4905 (7) | 0.6661 (5) | 0.017 (2) | |
| C14 | 0.5434 (6) | 0.5002 (7) | 0.6056 (5) | 0.016 (2) | |
| C15 | 0.6068 (6) | 0.5430 (7) | 0.5885 (4) | 0.017 (2) | |
| H15 | 0.6541 | 0.5631 | 0.6158 | 0.020* | |
| C16 | 0.5998 (6) | 0.5554 (7) | 0.5329 (5) | 0.017 (2) | |
| H16 | 0.6416 | 0.5861 | 0.5222 | 0.020* | |
| C17 | 0.5312 (6) | 0.5233 (7) | 0.4910 (5) | 0.017 (2) | |
| C18 | 0.4772 (6) | 0.4677 (7) | 0.5661 (5) | 0.015 (2) | |
| H18 | 0.4357 | 0.4382 | 0.5778 | 0.018* | |
| C19 | 0.8176 (7) | 0.2826 (8) | 0.8349 (5) | 0.021 (3) | |
| C20 | 0.8111 (7) | 0.2621 (7) | 0.8932 (5) | 0.019 (2) | |
| C21 | 0.8757 (6) | 0.2863 (7) | 0.9394 (5) | 0.016 (2) | |
| H21 | 0.9242 | 0.3103 | 0.9337 | 0.019* | |
| C22 | 0.8690 (7) | 0.2752 (8) | 0.9943 (5) | 0.021 (3) | |
| C23 | 0.9341 (7) | 0.2967 (8) | 1.0427 (5) | 0.020 (2) | |
| H23 | 0.9828 | 0.3228 | 1.0387 | 0.024* | |
| C24 | 0.9259 (7) | 0.2794 (7) | 1.0947 (4) | 0.018 (2) | |
| H24 | 0.9704 | 0.2916 | 1.1264 | 0.021* | |
| C25 | 0.8527 (7) | 0.2439 (8) | 1.1029 (5) | 0.024 (3) | |
| C26 | 0.8468 (7) | 0.2230 (7) | 1.1597 (5) | 0.021 (3) | |
| C27 | 0.7881 (6) | 0.2240 (7) | 1.0570 (5) | 0.019 (2) | |
| H27 | 0.7388 | 0.2011 | 1.0621 | 0.023* | |
| C28 | 0.7956 (7) | 0.2380 (7) | 1.0023 (5) | 0.018 (2) | |
| C29 | 0.7310 (7) | 0.2155 (8) | 0.9532 (5) | 0.021 (3) | |
| H29 | 0.6820 | 0.1906 | 0.9577 | 0.026* | |
| C30 | 0.7375 (6) | 0.2283 (8) | 0.9012 (5) | 0.023 (3) | |
| H30 | 0.6929 | 0.2148 | 0.8698 | 0.027* | |
| C31 | 0.9407 (7) | 0.4500 (7) | 0.8369 (5) | 0.019 (2) | |
| C32 | 0.9522 (7) | 0.4816 (7) | 0.8958 (5) | 0.018 (2) | |
| C33 | 0.8895 (7) | 0.5255 (7) | 0.9109 (5) | 0.023 (3) | |
| H33 | 0.8419 | 0.5425 | 0.8827 | 0.028* | |
| C34 | 0.8955 (7) | 0.5444 (7) | 0.9651 (5) | 0.018 (2) | |
| H34 | 0.8516 | 0.5726 | 0.9747 | 0.021* | |
| C35 | 1.0323 (7) | 0.4782 (7) | 0.9923 (4) | 0.017 (2) | |
| C36 | 1.0245 (7) | 0.4606 (8) | 0.9367 (5) | 0.021 (3) | |
| H36 | 1.0684 | 0.4341 | 0.9261 | 0.025* | |
| C37 | 0.8618 (7) | 0.4769 (7) | 0.6682 (4) | 0.017 (2) | |
| C38 | 0.8630 (7) | 0.4925 (7) | 0.6092 (4) | 0.019 (2) | |
| C39 | 0.9333 (7) | 0.5273 (7) | 0.5949 (5) | 0.021 (3) | |
| H39 | 0.9816 | 0.5403 | 0.6236 | 0.026* | |
| C40 | 0.9309 (6) | 0.5418 (7) | 0.5409 (4) | 0.016 (2) | |
| H40 | 0.9775 | 0.5658 | 0.5325 | 0.019* | |
| C41 | 0.8605 (6) | 0.5219 (7) | 0.4964 (4) | 0.015 (2) | |
| C42 | 0.8534 (6) | 0.5405 (7) | 0.4398 (4) | 0.013 (2) | |
| H42 | 0.8984 | 0.5668 | 0.4303 | 0.015* | |
| C43 | 0.7835 (6) | 0.5220 (7) | 0.3975 (4) | 0.015 (2) | |
| C44 | 0.7714 (7) | 0.5548 (8) | 0.3403 (5) | 0.021 (3) | |
| C45 | 0.7181 (7) | 0.4779 (7) | 0.4120 (4) | 0.017 (2) | |
| H45 | 0.6710 | 0.4612 | 0.3832 | 0.021* | |
| C46 | 0.7218 (6) | 0.4594 (7) | 0.4660 (5) | 0.018 (2) | |
| H46 | 0.6772 | 0.4307 | 0.4745 | 0.021* | |
| C47 | 0.7923 (6) | 0.4830 (7) | 0.5103 (4) | 0.015 (2) | |
| C48 | 0.7949 (7) | 0.4712 (7) | 0.5676 (5) | 0.018 (2) | |
| H48 | 0.7485 | 0.4481 | 0.5768 | 0.021* | |
| C49 | 1.1229 (6) | 0.2538 (7) | 0.8407 (5) | 0.017 (2) | |
| C50 | 1.1273 (6) | 0.2519 (7) | 0.9011 (5) | 0.017 (2) | |
| C51 | 1.1979 (6) | 0.2820 (7) | 0.9410 (4) | 0.013 (2) | |
| H51 | 1.2405 | 0.3098 | 0.9294 | 0.016* | |
| C52 | 1.2048 (6) | 0.2704 (7) | 0.9985 (4) | 0.014 (2) | |
| C53 | 1.2777 (6) | 0.2962 (7) | 1.0406 (5) | 0.017 (2) | |
| H53 | 1.3196 | 0.3276 | 1.0303 | 0.020* | |
| C54 | 1.2864 (7) | 0.2755 (7) | 1.0951 (4) | 0.018 (2) | |
| H54 | 1.3353 | 0.2908 | 1.1226 | 0.022* | |
| C55 | 1.2227 (6) | 0.2308 (8) | 1.1113 (5) | 0.020 (2) | |
| C56 | 1.2393 (7) | 0.1930 (7) | 1.1688 (4) | 0.017 (2) | |
| C57 | 1.1509 (6) | 0.2115 (7) | 1.0724 (4) | 0.016 (2) | |
| H57 | 1.1080 | 0.1843 | 1.0838 | 0.019* | |
| C58 | 1.1396 (6) | 0.2314 (7) | 1.0155 (4) | 0.015 (2) | |
| C59 | 1.0675 (6) | 0.2059 (7) | 0.9728 (5) | 0.018 (2) | |
| H59 | 1.0224 | 0.1819 | 0.9832 | 0.021* | |
| C60 | 1.0627 (6) | 0.2154 (7) | 0.9185 (5) | 0.017 (2) | |
| H60 | 1.0147 | 0.1970 | 0.8912 | 0.020* | |
| C61 | 1.0416 (7) | 0.2537 (7) | 0.6579 (4) | 0.020 (3) | |
| C62 | 1.0362 (7) | 0.2519 (7) | 0.5969 (5) | 0.021 (3) | |
| C63 | 1.1013 (6) | 0.2124 (7) | 0.5797 (5) | 0.016 (2) | |
| H63 | 1.1487 | 0.1917 | 0.6067 | 0.019* | |
| C64 | 1.0947 (7) | 0.2049 (7) | 0.5240 (5) | 0.023 (3) | |
| H64 | 1.1384 | 0.1796 | 0.5125 | 0.027* | |
| C65 | 1.0234 (6) | 0.2345 (7) | 0.4826 (4) | 0.017 (2) | |
| C66 | 1.0120 (7) | 0.2199 (7) | 0.4252 (5) | 0.021 (3) | |
| H66 | 1.0551 | 0.1945 | 0.4131 | 0.025* | |
| C67 | 0.9396 (7) | 0.2414 (7) | 0.3858 (5) | 0.018 (2) | |
| C68 | 0.9257 (7) | 0.2056 (8) | 0.3278 (5) | 0.023 (3) | |
| C69 | 0.8791 (7) | 0.2877 (7) | 0.4044 (5) | 0.021 (2) | |
| H69 | 0.8306 | 0.3070 | 0.3778 | 0.025* | |
| C70 | 0.8896 (7) | 0.3041 (7) | 0.4580 (5) | 0.019 (2) | |
| H70 | 0.8482 | 0.3351 | 0.4690 | 0.023* | |
| C71 | 0.9601 (6) | 0.2772 (7) | 0.4996 (4) | 0.015 (2) | |
| C72 | 0.9682 (6) | 0.2855 (7) | 0.5576 (5) | 0.016 (2) | |
| H72 | 0.9266 | 0.3143 | 0.5698 | 0.019* |
| Ho1 | 0.0159 (3) | 0.0228 (3) | 0.0110 (3) | −0.0031 (2) | 0.00474 (19) | −0.0011 (2) |
| Ho2 | 0.0156 (3) | 0.0290 (3) | 0.0126 (3) | 0.0039 (2) | 0.0060 (2) | −0.0003 (2) |
| Ho3 | 0.0158 (3) | 0.0273 (3) | 0.0115 (3) | 0.0032 (2) | 0.0057 (2) | −0.0002 (2) |
| Ho4 | 0.0173 (3) | 0.0331 (3) | 0.0116 (3) | −0.0074 (2) | 0.0063 (2) | −0.0006 (2) |
| O2W | 0.029 (5) | 0.023 (4) | 0.043 (5) | −0.006 (4) | 0.026 (4) | −0.002 (4) |
| O3W | 0.026 (5) | 0.026 (5) | 0.065 (7) | 0.000 (4) | 0.012 (4) | −0.011 (5) |
| O4W | 0.026 (5) | 0.026 (4) | 0.026 (5) | −0.004 (4) | 0.012 (4) | −0.003 (4) |
| O6W | 0.050 (6) | 0.044 (6) | 0.052 (7) | −0.012 (5) | 0.030 (5) | −0.006 (5) |
| O1 | 0.027 (5) | 0.044 (5) | 0.015 (4) | −0.011 (4) | 0.013 (4) | −0.003 (4) |
| O2 | 0.024 (5) | 0.045 (5) | 0.024 (5) | 0.008 (4) | 0.009 (4) | −0.001 (4) |
| O3 | 0.022 (4) | 0.031 (5) | 0.018 (4) | 0.000 (3) | 0.011 (3) | −0.004 (3) |
| O4 | 0.021 (4) | 0.031 (5) | 0.026 (5) | −0.003 (4) | 0.003 (4) | −0.006 (4) |
| O5 | 0.023 (4) | 0.046 (5) | 0.016 (4) | −0.008 (4) | 0.011 (3) | 0.003 (4) |
| O6 | 0.021 (4) | 0.030 (5) | 0.027 (5) | 0.007 (4) | 0.009 (4) | 0.004 (4) |
| O7 | 0.027 (5) | 0.035 (5) | 0.018 (4) | 0.002 (4) | 0.010 (4) | 0.005 (4) |
| O8 | 0.021 (4) | 0.027 (4) | 0.019 (4) | 0.001 (3) | 0.005 (3) | −0.002 (3) |
| O9 | 0.028 (5) | 0.041 (5) | 0.020 (4) | 0.009 (4) | 0.018 (4) | 0.004 (4) |
| O10 | 0.020 (4) | 0.037 (5) | 0.024 (5) | 0.006 (4) | 0.005 (4) | 0.006 (4) |
| O11 | 0.022 (4) | 0.031 (5) | 0.012 (4) | −0.009 (4) | 0.002 (3) | −0.003 (3) |
| O12 | 0.019 (4) | 0.040 (5) | 0.022 (4) | −0.002 (4) | 0.009 (3) | −0.010 (4) |
| O13 | 0.027 (5) | 0.039 (5) | 0.024 (5) | 0.006 (4) | 0.014 (4) | 0.007 (4) |
| O14 | 0.027 (5) | 0.039 (5) | 0.016 (4) | 0.006 (4) | 0.016 (4) | 0.002 (4) |
| O15 | 0.013 (4) | 0.053 (6) | 0.018 (4) | 0.002 (4) | 0.000 (3) | −0.002 (4) |
| O16 | 0.022 (4) | 0.047 (5) | 0.015 (4) | 0.001 (4) | 0.007 (3) | 0.004 (4) |
| O17 | 0.024 (4) | 0.020 (4) | 0.017 (4) | 0.002 (3) | 0.012 (3) | 0.004 (3) |
| O18 | 0.018 (4) | 0.044 (5) | 0.018 (4) | 0.002 (4) | 0.011 (3) | 0.006 (4) |
| O19 | 0.021 (4) | 0.036 (5) | 0.018 (4) | −0.002 (4) | 0.007 (3) | 0.011 (4) |
| O20 | 0.030 (5) | 0.034 (5) | 0.022 (5) | 0.003 (4) | 0.011 (4) | −0.002 (4) |
| O21 | 0.015 (4) | 0.038 (5) | 0.019 (4) | −0.002 (4) | 0.005 (3) | −0.005 (4) |
| O22 | 0.013 (4) | 0.033 (5) | 0.014 (4) | −0.007 (3) | 0.001 (3) | −0.005 (3) |
| O23 | 0.031 (5) | 0.036 (5) | 0.019 (4) | −0.010 (4) | 0.006 (4) | 0.001 (4) |
| O24 | 0.021 (4) | 0.046 (5) | 0.018 (4) | 0.009 (4) | 0.010 (3) | −0.009 (4) |
| C1 | 0.010 (5) | 0.033 (7) | 0.014 (6) | −0.003 (5) | 0.005 (4) | −0.007 (5) |
| C2 | 0.019 (6) | 0.015 (5) | 0.019 (6) | −0.007 (5) | 0.008 (5) | 0.003 (5) |
| C3 | 0.016 (6) | 0.016 (6) | 0.024 (6) | 0.000 (4) | 0.013 (5) | −0.006 (5) |
| C4 | 0.010 (5) | 0.027 (6) | 0.019 (6) | −0.004 (5) | 0.007 (4) | 0.002 (5) |
| C5 | 0.015 (6) | 0.017 (6) | 0.024 (7) | 0.001 (4) | 0.009 (5) | 0.000 (5) |
| C6 | 0.014 (6) | 0.033 (7) | 0.021 (6) | 0.004 (5) | 0.014 (5) | 0.004 (5) |
| C7 | 0.021 (6) | 0.022 (6) | 0.019 (6) | −0.001 (5) | 0.012 (5) | −0.002 (5) |
| C8 | 0.024 (7) | 0.023 (6) | 0.027 (7) | −0.003 (5) | 0.014 (5) | 0.002 (5) |
| C9 | 0.018 (6) | 0.016 (6) | 0.021 (6) | 0.001 (4) | 0.011 (5) | 0.000 (5) |
| C10 | 0.018 (6) | 0.013 (5) | 0.010 (5) | −0.002 (4) | 0.008 (4) | 0.000 (4) |
| C11 | 0.021 (6) | 0.023 (6) | 0.017 (6) | 0.005 (5) | 0.011 (5) | 0.003 (5) |
| C12 | 0.015 (6) | 0.019 (6) | 0.015 (6) | 0.005 (4) | 0.006 (4) | 0.002 (4) |
| C13 | 0.010 (5) | 0.021 (6) | 0.017 (6) | −0.003 (5) | −0.001 (4) | −0.005 (5) |
| C14 | 0.012 (5) | 0.020 (6) | 0.018 (6) | 0.000 (4) | 0.006 (4) | −0.003 (5) |
| C15 | 0.013 (5) | 0.023 (6) | 0.013 (6) | −0.002 (5) | 0.003 (4) | −0.012 (5) |
| C16 | 0.009 (5) | 0.022 (6) | 0.022 (6) | 0.002 (4) | 0.008 (4) | 0.001 (5) |
| C17 | 0.014 (5) | 0.017 (6) | 0.022 (6) | −0.001 (4) | 0.008 (5) | −0.006 (5) |
| C18 | 0.013 (5) | 0.009 (5) | 0.021 (6) | −0.002 (4) | 0.002 (4) | −0.002 (4) |
| C19 | 0.016 (6) | 0.026 (6) | 0.019 (6) | −0.002 (5) | 0.002 (5) | −0.001 (5) |
| C20 | 0.023 (6) | 0.011 (5) | 0.022 (6) | 0.000 (5) | 0.006 (5) | −0.004 (5) |
| C21 | 0.014 (5) | 0.013 (5) | 0.021 (6) | 0.001 (4) | 0.006 (4) | 0.001 (4) |
| C22 | 0.019 (6) | 0.032 (7) | 0.015 (6) | 0.008 (5) | 0.009 (5) | 0.003 (5) |
| C23 | 0.017 (6) | 0.029 (6) | 0.013 (6) | 0.010 (5) | 0.004 (4) | 0.006 (5) |
| C24 | 0.025 (6) | 0.016 (6) | 0.012 (6) | 0.003 (5) | 0.004 (4) | 0.002 (4) |
| C25 | 0.028 (7) | 0.023 (6) | 0.028 (7) | 0.007 (5) | 0.019 (5) | 0.011 (5) |
| C26 | 0.036 (7) | 0.014 (6) | 0.015 (6) | 0.003 (5) | 0.010 (5) | −0.004 (5) |
| C27 | 0.014 (6) | 0.025 (6) | 0.019 (6) | 0.008 (5) | 0.005 (4) | 0.002 (5) |
| C28 | 0.021 (6) | 0.011 (5) | 0.027 (7) | 0.008 (4) | 0.015 (5) | 0.001 (5) |
| C29 | 0.017 (6) | 0.024 (6) | 0.025 (7) | 0.003 (5) | 0.007 (5) | 0.002 (5) |
| C30 | 0.010 (5) | 0.034 (7) | 0.022 (6) | −0.001 (5) | 0.001 (4) | −0.005 (5) |
| C31 | 0.022 (6) | 0.020 (6) | 0.023 (6) | 0.000 (5) | 0.019 (5) | 0.001 (5) |
| C32 | 0.017 (6) | 0.019 (6) | 0.019 (6) | −0.001 (5) | 0.006 (5) | 0.006 (5) |
| C33 | 0.018 (6) | 0.022 (6) | 0.031 (7) | 0.005 (5) | 0.011 (5) | 0.009 (5) |
| C34 | 0.018 (6) | 0.020 (6) | 0.016 (6) | −0.002 (5) | 0.006 (5) | −0.004 (5) |
| C35 | 0.021 (6) | 0.018 (6) | 0.013 (6) | −0.006 (5) | 0.006 (5) | 0.002 (4) |
| C36 | 0.019 (6) | 0.028 (6) | 0.021 (6) | −0.003 (5) | 0.014 (5) | −0.008 (5) |
| C37 | 0.021 (6) | 0.017 (6) | 0.014 (6) | 0.002 (5) | 0.007 (5) | 0.001 (4) |
| C38 | 0.024 (6) | 0.020 (6) | 0.011 (6) | 0.001 (5) | 0.001 (5) | 0.004 (4) |
| C39 | 0.019 (6) | 0.025 (6) | 0.016 (6) | −0.003 (5) | −0.001 (5) | 0.000 (5) |
| C40 | 0.015 (6) | 0.023 (6) | 0.012 (6) | −0.003 (5) | 0.006 (4) | 0.004 (4) |
| C41 | 0.017 (6) | 0.014 (5) | 0.015 (6) | 0.000 (4) | 0.005 (4) | 0.005 (4) |
| C42 | 0.011 (5) | 0.019 (5) | 0.011 (6) | −0.002 (4) | 0.008 (4) | −0.002 (4) |
| C43 | 0.012 (5) | 0.022 (6) | 0.010 (5) | 0.011 (4) | 0.004 (4) | −0.001 (4) |
| C44 | 0.019 (6) | 0.026 (6) | 0.024 (7) | −0.001 (5) | 0.014 (5) | −0.002 (5) |
| C45 | 0.020 (6) | 0.020 (6) | 0.012 (6) | 0.001 (5) | 0.005 (4) | 0.002 (4) |
| C46 | 0.011 (5) | 0.016 (6) | 0.027 (7) | −0.005 (4) | 0.007 (5) | 0.001 (5) |
| C47 | 0.014 (5) | 0.018 (6) | 0.015 (6) | 0.003 (4) | 0.006 (4) | 0.008 (4) |
| C48 | 0.017 (6) | 0.018 (6) | 0.017 (6) | −0.005 (5) | 0.004 (5) | −0.005 (5) |
| C49 | 0.014 (6) | 0.021 (6) | 0.019 (6) | 0.002 (5) | 0.009 (5) | −0.002 (5) |
| C50 | 0.014 (5) | 0.024 (6) | 0.016 (6) | 0.000 (5) | 0.008 (4) | 0.002 (5) |
| C51 | 0.013 (5) | 0.020 (6) | 0.010 (5) | 0.006 (4) | 0.007 (4) | 0.005 (4) |
| C52 | 0.012 (5) | 0.013 (5) | 0.017 (6) | −0.001 (4) | 0.003 (4) | −0.002 (4) |
| C53 | 0.013 (5) | 0.016 (6) | 0.022 (6) | 0.000 (4) | 0.005 (4) | 0.003 (5) |
| C54 | 0.021 (6) | 0.024 (6) | 0.012 (6) | −0.007 (5) | 0.010 (4) | −0.006 (5) |
| C55 | 0.015 (6) | 0.026 (6) | 0.020 (6) | 0.002 (5) | 0.006 (5) | −0.001 (5) |
| C56 | 0.017 (6) | 0.026 (6) | 0.011 (5) | −0.003 (5) | 0.010 (4) | −0.002 (4) |
| C57 | 0.013 (5) | 0.023 (6) | 0.013 (6) | 0.000 (5) | 0.005 (4) | 0.000 (5) |
| C58 | 0.015 (5) | 0.016 (5) | 0.017 (6) | 0.005 (4) | 0.006 (4) | 0.002 (4) |
| C59 | 0.015 (6) | 0.021 (6) | 0.018 (6) | −0.002 (5) | 0.006 (4) | 0.001 (5) |
| C60 | 0.008 (5) | 0.023 (6) | 0.019 (6) | 0.000 (4) | 0.003 (4) | 0.005 (5) |
| C61 | 0.019 (6) | 0.025 (6) | 0.014 (6) | −0.015 (5) | 0.001 (5) | −0.006 (5) |
| C62 | 0.023 (6) | 0.021 (6) | 0.020 (6) | −0.005 (5) | 0.008 (5) | −0.001 (5) |
| C63 | 0.012 (5) | 0.014 (5) | 0.019 (6) | −0.002 (4) | 0.001 (4) | 0.009 (4) |
| C64 | 0.020 (6) | 0.018 (6) | 0.035 (7) | −0.004 (5) | 0.015 (5) | 0.003 (5) |
| C65 | 0.017 (6) | 0.024 (6) | 0.014 (6) | −0.007 (5) | 0.010 (4) | −0.007 (5) |
| C66 | 0.022 (6) | 0.013 (6) | 0.030 (7) | 0.000 (5) | 0.009 (5) | −0.002 (5) |
| C67 | 0.019 (6) | 0.018 (6) | 0.020 (6) | 0.001 (5) | 0.012 (5) | −0.001 (5) |
| C68 | 0.016 (6) | 0.028 (6) | 0.023 (6) | −0.003 (5) | 0.003 (5) | 0.001 (5) |
| C69 | 0.018 (6) | 0.022 (6) | 0.021 (6) | −0.002 (5) | 0.004 (5) | 0.004 (5) |
| C70 | 0.019 (6) | 0.023 (6) | 0.017 (6) | 0.003 (5) | 0.008 (5) | −0.003 (5) |
| C71 | 0.013 (5) | 0.018 (6) | 0.019 (6) | −0.009 (4) | 0.013 (4) | −0.005 (5) |
| C72 | 0.014 (5) | 0.019 (6) | 0.019 (6) | −0.005 (4) | 0.011 (4) | −0.006 (5) |
| Ho1—O1 | 2.313 (8) | C17—C18iii | 1.395 (16) |
| Ho1—O3i | 2.335 (7) | C17—C17iii | 1.45 (2) |
| Ho1—O5 | 2.277 (8) | C18—C17iii | 1.395 (16) |
| Ho1—O10ii | 2.314 (8) | C18—H18 | 0.9500 |
| Ho1—O15iii | 2.309 (8) | C19—C20 | 1.519 (16) |
| Ho1—O23iv | 2.847 (9) | C20—C21 | 1.402 (15) |
| Ho1—O24iv | 2.311 (8) | C20—C30 | 1.420 (16) |
| Ho1—O2W | 2.370 (8) | C21—C22 | 1.415 (15) |
| Ho2—O2 | 2.299 (8) | C21—H21 | 0.9500 |
| Ho2—O6 | 2.316 (8) | C22—C23 | 1.431 (16) |
| Ho2—O7 | 2.338 (8) | C22—C28 | 1.437 (16) |
| Ho2—O11 | 2.264 (8) | C23—C24 | 1.365 (15) |
| Ho2—O13 | 2.347 (8) | C23—H23 | 0.9500 |
| Ho2—O19ii | 2.338 (8) | C24—C25 | 1.425 (16) |
| Ho2—O20ii | 2.876 (8) | C24—H24 | 0.9500 |
| Ho2—O3W | 2.423 (9) | C25—C27 | 1.383 (16) |
| Ho3—O8 | 2.410 (8) | C25—C26 | 1.482 (16) |
| Ho3—O12 | 2.337 (8) | C27—C28 | 1.420 (16) |
| Ho3—O14 | 2.356 (8) | C27—H27 | 0.9500 |
| Ho3—O17 | 2.299 (7) | C28—C29 | 1.441 (16) |
| Ho3—O20ii | 2.299 (8) | C29—C30 | 1.346 (16) |
| Ho3—O21 | 2.300 (8) | C29—H29 | 0.9500 |
| Ho3—O4W | 2.469 (8) | C30—H30 | 0.9500 |
| Ho3—O5W | 2.640 (6) | C31—C32 | 1.503 (16) |
| Ho4—O4v | 2.360 (8) | C32—C33 | 1.397 (16) |
| Ho4—O9vi | 2.382 (7) | C32—C36 | 1.400 (16) |
| Ho4—O16vii | 2.342 (8) | C33—C34 | 1.357 (16) |
| Ho4—O18 | 2.337 (7) | C33—H33 | 0.9500 |
| Ho4—O22 | 2.276 (7) | C34—C35v | 1.426 (15) |
| Ho4—O23viii | 2.296 (8) | C34—H34 | 0.9500 |
| Ho4—O5W | 2.671 (6) | C35—C36 | 1.380 (16) |
| Ho4—O6W | 2.453 (10) | C35—C35v | 1.43 (2) |
| O1—C1 | 1.258 (13) | C35—C34v | 1.426 (15) |
| O2—C1 | 1.239 (13) | C36—H36 | 0.9500 |
| O3—C8 | 1.269 (14) | C37—C38 | 1.494 (15) |
| O3—Ho1i | 2.335 (7) | C38—C48 | 1.364 (15) |
| O4—C8 | 1.254 (14) | C38—C39 | 1.443 (16) |
| O4—Ho4v | 2.360 (8) | C39—C40 | 1.352 (16) |
| O5—C13 | 1.240 (13) | C39—H39 | 0.9500 |
| O6—C13 | 1.272 (13) | C40—C41 | 1.421 (15) |
| O7—C19 | 1.246 (14) | C40—H40 | 0.9500 |
| O8—C19 | 1.269 (14) | C41—C42 | 1.410 (15) |
| O9—C26 | 1.268 (14) | C41—C47 | 1.429 (15) |
| O9—Ho4iv | 2.382 (7) | C42—C43 | 1.383 (15) |
| O10—C26 | 1.297 (14) | C42—H42 | 0.9500 |
| O10—Ho1viii | 2.314 (8) | C43—C45 | 1.429 (15) |
| O11—C31 | 1.245 (14) | C43—C44 | 1.470 (16) |
| O12—C31 | 1.249 (13) | C44—Ho4vii | 3.005 (12) |
| O13—C37 | 1.241 (13) | C45—C46 | 1.359 (16) |
| O14—C37 | 1.271 (13) | C45—H45 | 0.9500 |
| O15—C44 | 1.249 (14) | C46—C47 | 1.433 (15) |
| O15—Ho1iii | 2.309 (7) | C46—H46 | 0.9500 |
| O16—C44 | 1.250 (13) | C47—C48 | 1.428 (15) |
| O16—Ho4vii | 2.342 (8) | C48—H48 | 0.9500 |
| O17—C49 | 1.266 (13) | C49—C50 | 1.486 (15) |
| O18—C49 | 1.255 (13) | C50—C60 | 1.404 (14) |
| O19—C56 | 1.266 (13) | C50—C51 | 1.408 (15) |
| O19—Ho2viii | 2.338 (8) | C51—C52 | 1.417 (14) |
| O20—C56 | 1.266 (14) | C51—H51 | 0.9500 |
| O20—Ho3viii | 2.299 (8) | C52—C58 | 1.424 (15) |
| O20—Ho2viii | 2.876 (8) | C52—C53 | 1.439 (15) |
| O21—C61 | 1.263 (13) | C53—C54 | 1.361 (15) |
| O22—C61 | 1.285 (13) | C53—H53 | 0.9500 |
| O23—C68 | 1.243 (14) | C54—C55 | 1.431 (15) |
| O23—Ho4ii | 2.296 (8) | C54—H54 | 0.9500 |
| O23—Ho1vi | 2.847 (9) | C55—C57 | 1.366 (15) |
| O24—C68 | 1.267 (14) | C55—C56 | 1.495 (15) |
| O24—Ho1vi | 2.311 (8) | C56—Ho2viii | 2.942 (11) |
| C1—C2 | 1.496 (15) | C57—C58 | 1.409 (15) |
| C2—C3 | 1.375 (16) | C57—H57 | 0.9500 |
| C2—C12 | 1.422 (15) | C58—C59 | 1.438 (15) |
| C3—C4 | 1.433 (16) | C59—C60 | 1.340 (15) |
| C3—H3 | 0.9500 | C59—H59 | 0.9500 |
| C4—C5 | 1.414 (16) | C60—H60 | 0.9500 |
| C4—C10 | 1.422 (15) | C61—C62 | 1.496 (16) |
| C5—C6 | 1.379 (16) | C62—C72 | 1.390 (16) |
| C5—H5 | 0.9500 | C62—C63 | 1.428 (15) |
| C6—C7 | 1.419 (15) | C63—C64 | 1.366 (16) |
| C6—H6 | 0.9500 | C63—H63 | 0.9500 |
| C7—C9 | 1.373 (16) | C64—C65 | 1.431 (16) |
| C7—C8 | 1.485 (16) | C64—H64 | 0.9500 |
| C9—C10 | 1.415 (15) | C65—C66 | 1.406 (16) |
| C9—H9 | 0.9500 | C65—C71 | 1.421 (14) |
| C10—C11 | 1.428 (15) | C66—C67 | 1.386 (16) |
| C11—C12 | 1.349 (15) | C66—H66 | 0.9500 |
| C11—H11 | 0.9500 | C67—C69 | 1.428 (15) |
| C12—H12 | 0.9500 | C67—C68 | 1.500 (16) |
| C13—C14 | 1.487 (15) | C68—Ho1vi | 2.890 (12) |
| C14—C18 | 1.367 (15) | C69—C70 | 1.322 (16) |
| C14—C15 | 1.423 (15) | C69—H69 | 0.9500 |
| C15—C16 | 1.371 (16) | C70—C71 | 1.412 (15) |
| C15—H15 | 0.9500 | C70—H70 | 0.9500 |
| C16—C17 | 1.421 (15) | C71—C72 | 1.419 (15) |
| C16—H16 | 0.9500 | C72—H72 | 0.9500 |
| O5—Ho1—O15iii | 94.3 (3) | C9—C10—C11 | 120.8 (10) |
| O5—Ho1—O24iv | 120.7 (3) | C4—C10—C11 | 119.5 (10) |
| O15iii—Ho1—O24iv | 129.4 (3) | C12—C11—C10 | 120.5 (10) |
| O5—Ho1—O1 | 81.0 (3) | C12—C11—H11 | 119.8 |
| O15iii—Ho1—O1 | 153.5 (3) | C10—C11—H11 | 119.8 |
| O24iv—Ho1—O1 | 73.5 (3) | C11—C12—C2 | 121.6 (10) |
| O5—Ho1—O10ii | 77.0 (3) | C11—C12—H12 | 119.2 |
| O15iii—Ho1—O10ii | 77.3 (3) | C2—C12—H12 | 119.2 |
| O24iv—Ho1—O10ii | 76.7 (3) | O5—C13—O6 | 124.3 (10) |
| O1—Ho1—O10ii | 126.1 (3) | O5—C13—C14 | 118.9 (9) |
| O5—Ho1—O3i | 148.8 (3) | O6—C13—C14 | 116.6 (9) |
| O15iii—Ho1—O3i | 82.9 (3) | C18—C14—C15 | 119.5 (10) |
| O24iv—Ho1—O3i | 83.0 (3) | C18—C14—C13 | 120.7 (10) |
| O1—Ho1—O3i | 87.7 (3) | C15—C14—C13 | 119.7 (9) |
| O10ii—Ho1—O3i | 131.6 (3) | C16—C15—C14 | 120.3 (10) |
| O5—Ho1—O2W | 77.9 (3) | C16—C15—H15 | 119.8 |
| O15iii—Ho1—O2W | 77.1 (3) | C14—C15—H15 | 119.8 |
| O24iv—Ho1—O2W | 140.8 (3) | C15—C16—C17 | 121.2 (10) |
| O1—Ho1—O2W | 76.4 (3) | C15—C16—H16 | 119.4 |
| O10ii—Ho1—O2W | 142.3 (3) | C17—C16—H16 | 119.4 |
| O3i—Ho1—O2W | 71.2 (3) | C18iii—C17—C16 | 123.1 (10) |
| O5—Ho1—O23iv | 146.5 (3) | C18iii—C17—C17iii | 119.2 (12) |
| O15iii—Ho1—O23iv | 81.2 (3) | C16—C17—C17iii | 117.7 (13) |
| O24iv—Ho1—O23iv | 49.1 (2) | C14—C18—C17iii | 121.9 (10) |
| O1—Ho1—O23iv | 116.7 (3) | C14—C18—H18 | 119.0 |
| O10ii—Ho1—O23iv | 69.6 (3) | C17iii—C18—H18 | 119.0 |
| O3i—Ho1—O23iv | 64.0 (3) | O7—C19—O8 | 124.6 (11) |
| O2W—Ho1—O23iv | 132.0 (2) | O7—C19—C20 | 117.2 (10) |
| O5—Ho1—C68iv | 142.0 (3) | O8—C19—C20 | 118.2 (10) |
| O15iii—Ho1—C68iv | 106.2 (3) | C21—C20—C30 | 120.2 (10) |
| O24iv—Ho1—C68iv | 25.2 (3) | C21—C20—C19 | 118.8 (10) |
| O1—Ho1—C68iv | 92.7 (3) | C30—C20—C19 | 120.6 (10) |
| O10ii—Ho1—C68iv | 76.8 (3) | C20—C21—C22 | 120.5 (10) |
| O3i—Ho1—C68iv | 67.1 (3) | C20—C21—H21 | 119.8 |
| O2W—Ho1—C68iv | 137.3 (3) | C22—C21—H21 | 119.8 |
| O23iv—Ho1—C68iv | 25.0 (3) | C21—C22—C23 | 122.5 (10) |
| O11—Ho2—O2 | 94.6 (3) | C21—C22—C28 | 119.2 (10) |
| O11—Ho2—O6 | 152.3 (3) | C23—C22—C28 | 118.3 (10) |
| O2—Ho2—O6 | 84.2 (3) | C24—C23—C22 | 119.7 (11) |
| O11—Ho2—O19ii | 127.4 (3) | C24—C23—H23 | 120.1 |
| O2—Ho2—O19ii | 120.9 (3) | C22—C23—H23 | 120.1 |
| O6—Ho2—O19ii | 74.8 (3) | C23—C24—C25 | 122.2 (11) |
| O11—Ho2—O7 | 77.7 (3) | C23—C24—H24 | 118.9 |
| O2—Ho2—O7 | 74.0 (3) | C25—C24—H24 | 118.9 |
| O6—Ho2—O7 | 127.7 (3) | C27—C25—C24 | 119.5 (10) |
| O19ii—Ho2—O7 | 76.9 (3) | C27—C25—C26 | 119.5 (10) |
| O11—Ho2—O13 | 81.2 (3) | C24—C25—C26 | 120.9 (11) |
| O2—Ho2—O13 | 153.4 (3) | O9—C26—O10 | 122.8 (10) |
| O6—Ho2—O13 | 87.6 (3) | O9—C26—C25 | 120.8 (10) |
| O19ii—Ho2—O13 | 80.9 (3) | O10—C26—C25 | 116.4 (10) |
| O7—Ho2—O13 | 129.6 (3) | C25—C27—C28 | 119.8 (10) |
| O11—Ho2—O3W | 76.8 (3) | C25—C27—H27 | 120.1 |
| O2—Ho2—O3W | 76.9 (3) | C28—C27—H27 | 120.1 |
| O6—Ho2—O3W | 76.0 (3) | C27—C28—C22 | 120.4 (10) |
| O19ii—Ho2—O3W | 143.6 (3) | C27—C28—C29 | 121.8 (10) |
| O7—Ho2—O3W | 139.2 (3) | C22—C28—C29 | 117.8 (10) |
| O13—Ho2—O3W | 76.5 (3) | C30—C29—C28 | 122.3 (11) |
| O11—Ho2—O20ii | 78.7 (3) | C30—C29—H29 | 118.9 |
| O2—Ho2—O20ii | 141.2 (3) | C28—C29—H29 | 118.9 |
| O6—Ho2—O20ii | 118.7 (3) | C29—C30—C20 | 120.0 (10) |
| O19ii—Ho2—O20ii | 49.0 (2) | C29—C30—H30 | 120.0 |
| O7—Ho2—O20ii | 67.2 (3) | C20—C30—H30 | 120.0 |
| O13—Ho2—O20ii | 64.0 (3) | O11—C31—O12 | 122.1 (11) |
| O3W—Ho2—O20ii | 136.0 (3) | O11—C31—C32 | 119.4 (9) |
| O11—Ho2—C56ii | 103.8 (3) | O12—C31—C32 | 118.0 (10) |
| O2—Ho2—C56ii | 138.5 (3) | O11—C31—Ho3 | 75.5 (6) |
| O6—Ho2—C56ii | 94.9 (3) | O12—C31—Ho3 | 49.1 (6) |
| O19ii—Ho2—C56ii | 24.5 (3) | C32—C31—Ho3 | 153.4 (7) |
| O7—Ho2—C56ii | 74.1 (3) | C33—C32—C36 | 119.8 (11) |
| O13—Ho2—C56ii | 67.4 (3) | C33—C32—C31 | 120.8 (10) |
| O3W—Ho2—C56ii | 143.1 (3) | C36—C32—C31 | 119.2 (10) |
| O20ii—Ho2—C56ii | 25.1 (3) | C34—C33—C32 | 121.1 (11) |
| O20ii—Ho3—O17 | 145.8 (3) | C34—C33—H33 | 119.5 |
| O20ii—Ho3—O21 | 86.6 (3) | C32—C33—H33 | 119.5 |
| O17—Ho3—O21 | 90.7 (3) | C33—C34—C35v | 120.1 (10) |
| O20ii—Ho3—O12 | 125.3 (3) | C33—C34—H34 | 119.9 |
| O17—Ho3—O12 | 78.2 (3) | C35v—C34—H34 | 119.9 |
| O21—Ho3—O12 | 136.1 (3) | C36—C35—C35v | 119.6 (13) |
| O20ii—Ho3—O14 | 75.9 (3) | C36—C35—C34v | 121.6 (10) |
| O17—Ho3—O14 | 136.8 (3) | C35v—C35—C34v | 118.8 (12) |
| O21—Ho3—O14 | 78.6 (3) | C35—C36—C32 | 120.4 (10) |
| O12—Ho3—O14 | 81.1 (3) | C35—C36—H36 | 119.8 |
| O20ii—Ho3—O8 | 81.3 (3) | C32—C36—H36 | 119.8 |
| O17—Ho3—O8 | 81.2 (3) | O13—C37—O14 | 125.4 (10) |
| O21—Ho3—O8 | 144.2 (3) | O13—C37—C38 | 119.2 (10) |
| O12—Ho3—O8 | 76.3 (3) | O14—C37—C38 | 115.4 (9) |
| O14—Ho3—O8 | 129.5 (3) | C48—C38—C39 | 119.3 (10) |
| O20ii—Ho3—O4W | 73.3 (3) | C48—C38—C37 | 118.0 (10) |
| O17—Ho3—O4W | 73.2 (3) | C39—C38—C37 | 122.7 (10) |
| O21—Ho3—O4W | 73.2 (3) | C40—C39—C38 | 120.5 (10) |
| O12—Ho3—O4W | 139.3 (3) | C40—C39—H39 | 119.7 |
| O14—Ho3—O4W | 139.1 (3) | C38—C39—H39 | 119.7 |
| O8—Ho3—O4W | 71.1 (3) | C39—C40—C41 | 121.8 (10) |
| O20ii—Ho3—O5W | 138.4 (3) | C39—C40—H40 | 119.1 |
| O17—Ho3—O5W | 70.8 (2) | C41—C40—H40 | 119.1 |
| O21—Ho3—O5W | 70.1 (3) | C42—C41—C40 | 123.8 (10) |
| O12—Ho3—O5W | 66.2 (3) | C42—C41—C47 | 118.4 (10) |
| O14—Ho3—O5W | 66.2 (3) | C40—C41—C47 | 117.8 (10) |
| O8—Ho3—O5W | 136.6 (2) | C43—C42—C41 | 122.5 (9) |
| O4W—Ho3—O5W | 127.3 (2) | C43—C42—H42 | 118.8 |
| O20ii—Ho3—C31 | 101.9 (3) | C41—C42—H42 | 118.8 |
| O17—Ho3—C31 | 96.7 (3) | C42—C43—C45 | 118.1 (10) |
| O21—Ho3—C31 | 151.5 (3) | C42—C43—C44 | 121.9 (10) |
| O12—Ho3—C31 | 23.8 (3) | C45—C43—C44 | 119.6 (9) |
| O14—Ho3—C31 | 77.1 (3) | O15—C44—O16 | 121.7 (11) |
| O8—Ho3—C31 | 64.3 (3) | O15—C44—C43 | 119.0 (10) |
| O4W—Ho3—C31 | 135.3 (3) | O16—C44—C43 | 119.0 (10) |
| O5W—Ho3—C31 | 86.4 (3) | O15—C44—Ho4vii | 77.3 (7) |
| O22—Ho4—O23viii | 146.1 (3) | O16—C44—Ho4vii | 47.1 (6) |
| O22—Ho4—O18 | 90.9 (3) | C43—C44—Ho4vii | 153.7 (8) |
| O23viii—Ho4—O18 | 86.7 (3) | C46—C45—C43 | 121.4 (10) |
| O22—Ho4—O16vii | 79.3 (3) | C46—C45—H45 | 119.3 |
| O23viii—Ho4—O16vii | 124.6 (3) | C43—C45—H45 | 119.3 |
| O18—Ho4—O16vii | 134.8 (3) | C45—C46—C47 | 120.6 (10) |
| O22—Ho4—O4v | 135.9 (3) | C45—C46—H46 | 119.7 |
| O23viii—Ho4—O4v | 76.1 (3) | C47—C46—H46 | 119.7 |
| O18—Ho4—O4v | 76.4 (3) | C48—C47—C41 | 119.5 (10) |
| O16vii—Ho4—O4v | 80.7 (3) | C48—C47—C46 | 121.6 (10) |
| O22—Ho4—O9vi | 83.4 (3) | C41—C47—C46 | 118.8 (10) |
| O23viii—Ho4—O9vi | 81.4 (3) | C38—C48—C47 | 120.9 (10) |
| O18—Ho4—O9vi | 148.5 (3) | C38—C48—H48 | 119.5 |
| O16vii—Ho4—O9vi | 74.6 (3) | C47—C48—H48 | 119.5 |
| O4v—Ho4—O9vi | 127.6 (3) | O18—C49—O17 | 124.2 (10) |
| O22—Ho4—O6W | 73.5 (3) | O18—C49—C50 | 119.6 (10) |
| O23viii—Ho4—O6W | 73.2 (3) | O17—C49—C50 | 116.1 (9) |
| O18—Ho4—O6W | 76.3 (3) | C60—C50—C51 | 120.0 (10) |
| O16vii—Ho4—O6W | 139.0 (3) | C60—C50—C49 | 119.8 (10) |
| O4v—Ho4—O6W | 139.6 (3) | C51—C50—C49 | 120.1 (9) |
| O9vi—Ho4—O6W | 72.4 (3) | C50—C51—C52 | 119.3 (9) |
| O22—Ho4—O5W | 70.5 (3) | C50—C51—H51 | 120.4 |
| O23viii—Ho4—O5W | 138.4 (3) | C52—C51—H51 | 120.4 |
| O18—Ho4—O5W | 69.8 (3) | C51—C52—C58 | 120.0 (9) |
| O16vii—Ho4—O5W | 65.3 (3) | C51—C52—C53 | 121.0 (9) |
| O4v—Ho4—O5W | 65.4 (3) | C58—C52—C53 | 119.0 (10) |
| O9vi—Ho4—O5W | 135.1 (3) | C54—C53—C52 | 119.7 (10) |
| O6W—Ho4—O5W | 129.2 (3) | C54—C53—H53 | 120.1 |
| O22—Ho4—C44vii | 97.5 (3) | C52—C53—H53 | 120.1 |
| O23viii—Ho4—C44vii | 102.0 (3) | C53—C54—C55 | 120.7 (10) |
| O18—Ho4—C44vii | 148.7 (3) | C53—C54—H54 | 119.6 |
| O16vii—Ho4—C44vii | 23.0 (3) | C55—C54—H54 | 119.6 |
| O4v—Ho4—C44vii | 76.7 (3) | C57—C55—C54 | 120.1 (10) |
| O9vi—Ho4—C44vii | 62.7 (3) | C57—C55—C56 | 119.4 (10) |
| O6W—Ho4—C44vii | 135.0 (3) | C54—C55—C56 | 119.8 (10) |
| O5W—Ho4—C44vii | 84.6 (3) | O19—C56—O20 | 122.3 (10) |
| Ho3—O5W—Ho4 | 126.7 (3) | O19—C56—C55 | 117.6 (10) |
| C1—O1—Ho1 | 154.4 (8) | O20—C56—C55 | 119.7 (9) |
| C1—O2—Ho2 | 143.2 (8) | O19—C56—Ho2viii | 50.0 (5) |
| C8—O3—Ho1i | 137.4 (8) | O20—C56—Ho2viii | 74.5 (6) |
| C8—O4—Ho4v | 129.9 (8) | C55—C56—Ho2viii | 155.2 (8) |
| C13—O5—Ho1 | 149.4 (7) | C55—C57—C58 | 120.9 (10) |
| C13—O6—Ho2 | 141.3 (7) | C55—C57—H57 | 119.5 |
| C19—O7—Ho2 | 128.7 (8) | C58—C57—H57 | 119.5 |
| C19—O8—Ho3 | 135.0 (7) | C57—C58—C52 | 119.2 (10) |
| C26—O9—Ho4iv | 138.6 (7) | C57—C58—C59 | 122.5 (10) |
| C26—O10—Ho1viii | 129.6 (7) | C52—C58—C59 | 118.0 (10) |
| C31—O11—Ho2 | 171.8 (7) | C60—C59—C58 | 121.2 (10) |
| C31—O12—Ho3 | 107.0 (7) | C60—C59—H59 | 119.4 |
| C37—O13—Ho2 | 136.7 (7) | C58—C59—H59 | 119.4 |
| C37—O14—Ho3 | 127.7 (7) | C59—C60—C50 | 121.4 (10) |
| C44—O15—Ho1iii | 170.7 (8) | C59—C60—H60 | 119.3 |
| C44—O16—Ho4vii | 109.8 (7) | C50—C60—H60 | 119.3 |
| C49—O17—Ho3 | 136.5 (7) | O21—C61—O22 | 124.3 (10) |
| C49—O18—Ho4 | 138.1 (7) | O21—C61—C62 | 119.3 (10) |
| C56—O19—Ho2viii | 105.6 (7) | O22—C61—C62 | 116.2 (10) |
| C56—O20—Ho3viii | 176.9 (7) | C72—C62—C63 | 120.5 (10) |
| C56—O20—Ho2viii | 80.4 (6) | C72—C62—C61 | 120.8 (10) |
| Ho3viii—O20—Ho2viii | 101.8 (3) | C63—C62—C61 | 118.6 (10) |
| C61—O21—Ho3 | 138.2 (7) | C64—C63—C62 | 119.3 (10) |
| C61—O22—Ho4 | 135.3 (7) | C64—C63—H63 | 120.4 |
| C68—O23—Ho4ii | 176.8 (8) | C62—C63—H63 | 120.4 |
| C68—O23—Ho1vi | 79.4 (7) | C63—C64—C65 | 121.3 (10) |
| Ho4ii—O23—Ho1vi | 102.5 (3) | C63—C64—H64 | 119.3 |
| C68—O24—Ho1vi | 103.9 (7) | C65—C64—H64 | 119.3 |
| O2—C1—O1 | 124.4 (10) | C66—C65—C71 | 118.3 (10) |
| O2—C1—C2 | 118.8 (10) | C66—C65—C64 | 122.2 (10) |
| O1—C1—C2 | 116.7 (9) | C71—C65—C64 | 119.4 (10) |
| C3—C2—C12 | 119.0 (10) | C67—C66—C65 | 121.9 (10) |
| C3—C2—C1 | 121.8 (10) | C67—C66—H66 | 119.1 |
| C12—C2—C1 | 119.2 (10) | C65—C66—H66 | 119.1 |
| C2—C3—C4 | 121.5 (10) | C66—C67—C69 | 117.9 (10) |
| C2—C3—H3 | 119.2 | C66—C67—C68 | 117.9 (10) |
| C4—C3—H3 | 119.2 | C69—C67—C68 | 123.8 (10) |
| C5—C4—C10 | 117.8 (10) | O23—C68—O24 | 122.3 (11) |
| C5—C4—C3 | 124.3 (10) | O23—C68—C67 | 118.6 (10) |
| C10—C4—C3 | 118.0 (10) | O24—C68—C67 | 119.1 (10) |
| C6—C5—C4 | 122.0 (10) | O23—C68—Ho1vi | 75.6 (7) |
| C6—C5—H5 | 119.0 | O24—C68—Ho1vi | 50.9 (6) |
| C4—C5—H5 | 119.0 | C67—C68—Ho1vi | 152.8 (8) |
| C5—C6—C7 | 119.6 (11) | C70—C69—C67 | 120.8 (10) |
| C5—C6—H6 | 120.2 | C70—C69—H69 | 119.6 |
| C7—C6—H6 | 120.2 | C67—C69—H69 | 119.6 |
| C9—C7—C6 | 119.8 (10) | C69—C70—C71 | 122.5 (10) |
| C9—C7—C8 | 118.7 (10) | C69—C70—H70 | 118.8 |
| C6—C7—C8 | 121.4 (10) | C71—C70—H70 | 118.8 |
| O4—C8—O3 | 123.2 (11) | C70—C71—C72 | 122.9 (10) |
| O4—C8—C7 | 118.9 (10) | C70—C71—C65 | 118.3 (10) |
| O3—C8—C7 | 117.8 (10) | C72—C71—C65 | 118.6 (10) |
| C7—C9—C10 | 121.1 (10) | C62—C72—C71 | 120.7 (10) |
| C7—C9—H9 | 119.5 | C62—C72—H72 | 119.7 |
| C10—C9—H9 | 119.5 | C71—C72—H72 | 119.7 |
| C9—C10—C4 | 119.7 (10) | ||
| O20ii—Ho3—O5W—Ho4 | −119.2 (4) | C20—C21—C22—C28 | 0.6 (16) |
| O17—Ho3—O5W—Ho4 | 38.6 (3) | C21—C22—C23—C24 | −176.0 (10) |
| O21—Ho3—O5W—Ho4 | −59.5 (4) | C28—C22—C23—C24 | 1.7 (16) |
| O12—Ho3—O5W—Ho4 | 123.8 (4) | C22—C23—C24—C25 | −2.8 (17) |
| O14—Ho3—O5W—Ho4 | −145.6 (4) | C23—C24—C25—C27 | 1.5 (17) |
| O8—Ho3—O5W—Ho4 | 91.3 (5) | C23—C24—C25—C26 | 177.8 (10) |
| O4W—Ho3—O5W—Ho4 | −11.0 (5) | Ho4iv—O9—C26—O10 | −14.1 (19) |
| C31—Ho3—O5W—Ho4 | 136.9 (4) | Ho4iv—O9—C26—C25 | 165.6 (8) |
| O22—Ho4—O5W—Ho3 | 38.8 (4) | Ho1viii—O10—C26—O9 | 52.1 (15) |
| O23viii—Ho4—O5W—Ho3 | −119.3 (4) | Ho1viii—O10—C26—C25 | −127.6 (9) |
| O18—Ho4—O5W—Ho3 | −59.7 (4) | C27—C25—C26—O9 | −39.3 (16) |
| O16vii—Ho4—O5W—Ho3 | 125.6 (5) | C24—C25—C26—O9 | 144.3 (11) |
| O4v—Ho4—O5W—Ho3 | −143.5 (5) | C27—C25—C26—O10 | 140.3 (11) |
| O9vi—Ho4—O5W—Ho3 | 96.9 (5) | C24—C25—C26—O10 | −36.0 (15) |
| O6W—Ho4—O5W—Ho3 | −8.5 (6) | C24—C25—C27—C28 | 0.9 (17) |
| C44vii—Ho4—O5W—Ho3 | 138.7 (4) | C26—C25—C27—C28 | −175.5 (10) |
| O5—Ho1—O1—C1 | −111.2 (17) | C25—C27—C28—C22 | −1.9 (16) |
| O15iii—Ho1—O1—C1 | 167.1 (15) | C25—C27—C28—C29 | 177.8 (11) |
| O24iv—Ho1—O1—C1 | 14.6 (16) | C21—C22—C28—C27 | 178.4 (10) |
| O10ii—Ho1—O1—C1 | −44.6 (18) | C23—C22—C28—C27 | 0.6 (16) |
| O3i—Ho1—O1—C1 | 97.9 (17) | C21—C22—C28—C29 | −1.3 (16) |
| O2W—Ho1—O1—C1 | 169.2 (17) | C23—C22—C28—C29 | −179.2 (10) |
| O23iv—Ho1—O1—C1 | 38.7 (17) | C27—C28—C29—C30 | −179.9 (11) |
| C68iv—Ho1—O1—C1 | 31.0 (17) | C22—C28—C29—C30 | −0.2 (17) |
| O11—Ho2—O2—C1 | 174.7 (14) | C28—C29—C30—C20 | 2.4 (18) |
| O6—Ho2—O2—C1 | 22.5 (14) | C21—C20—C30—C29 | −3.2 (17) |
| O19ii—Ho2—O2—C1 | −46.0 (15) | C19—C20—C30—C29 | −176.0 (10) |
| O7—Ho2—O2—C1 | −109.5 (14) | Ho3—O12—C31—O11 | −20.8 (13) |
| O13—Ho2—O2—C1 | 95.3 (15) | Ho3—O12—C31—C32 | 151.5 (8) |
| O3W—Ho2—O2—C1 | 99.4 (14) | O20ii—Ho3—C31—O11 | −7.7 (7) |
| O20ii—Ho2—O2—C1 | −107.6 (13) | O17—Ho3—C31—O11 | −158.8 (6) |
| C56ii—Ho2—O2—C1 | −68.4 (15) | O21—Ho3—C31—O11 | 97.2 (8) |
| O15iii—Ho1—O5—C13 | 168.4 (16) | O12—Ho3—C31—O11 | 161.9 (11) |
| O24iv—Ho1—O5—C13 | −50.0 (16) | O14—Ho3—C31—O11 | 64.7 (6) |
| O1—Ho1—O5—C13 | 14.7 (15) | O8—Ho3—C31—O11 | −81.9 (6) |
| O10ii—Ho1—O5—C13 | −115.7 (16) | O4W—Ho3—C31—O11 | −85.9 (7) |
| O3i—Ho1—O5—C13 | 84.9 (17) | O5W—Ho3—C31—O11 | 131.0 (6) |
| O2W—Ho1—O5—C13 | 92.6 (16) | O20ii—Ho3—C31—O12 | −169.6 (7) |
| O23iv—Ho1—O5—C13 | −111.1 (15) | O17—Ho3—C31—O12 | 39.3 (8) |
| C68iv—Ho1—O5—C13 | −68.3 (17) | O21—Ho3—C31—O12 | −64.7 (10) |
| O11—Ho2—O6—C13 | 166.5 (10) | O14—Ho3—C31—O12 | −97.2 (7) |
| O2—Ho2—O6—C13 | −104.7 (12) | O8—Ho3—C31—O12 | 116.2 (8) |
| O19ii—Ho2—O6—C13 | 19.5 (11) | O4W—Ho3—C31—O12 | 112.2 (7) |
| O7—Ho2—O6—C13 | −40.0 (13) | O5W—Ho3—C31—O12 | −30.9 (7) |
| O13—Ho2—O6—C13 | 100.7 (12) | O20ii—Ho3—C31—C32 | 120.3 (16) |
| O3W—Ho2—O6—C13 | 177.4 (12) | O17—Ho3—C31—C32 | −30.8 (17) |
| O20ii—Ho2—O6—C13 | 42.3 (12) | O21—Ho3—C31—C32 | −134.8 (15) |
| C56ii—Ho2—O6—C13 | 33.7 (12) | O12—Ho3—C31—C32 | −70.1 (17) |
| O11—Ho2—O7—C19 | −0.8 (9) | O14—Ho3—C31—C32 | −167.3 (17) |
| O2—Ho2—O7—C19 | −99.2 (10) | O8—Ho3—C31—C32 | 46.1 (16) |
| O6—Ho2—O7—C19 | −168.5 (9) | O4W—Ho3—C31—C32 | 42.1 (18) |
| O19ii—Ho2—O7—C19 | 132.8 (10) | O5W—Ho3—C31—C32 | −100.9 (16) |
| O13—Ho2—O7—C19 | 66.7 (10) | O11—C31—C32—C33 | −9.9 (16) |
| O3W—Ho2—O7—C19 | −53.0 (11) | O12—C31—C32—C33 | 177.6 (10) |
| O20ii—Ho2—O7—C19 | 82.0 (9) | Ho3—C31—C32—C33 | −128.7 (14) |
| C56ii—Ho2—O7—C19 | 107.6 (10) | O11—C31—C32—C36 | 165.2 (10) |
| O20ii—Ho3—O8—C19 | −32.2 (10) | O12—C31—C32—C36 | −7.3 (16) |
| O17—Ho3—O8—C19 | 177.4 (11) | Ho3—C31—C32—C36 | 46 (2) |
| O21—Ho3—O8—C19 | −103.7 (11) | C36—C32—C33—C34 | −3.4 (17) |
| O12—Ho3—O8—C19 | 97.5 (10) | C31—C32—C33—C34 | 171.6 (10) |
| O14—Ho3—O8—C19 | 31.5 (11) | C32—C33—C34—C35v | 2.0 (17) |
| O4W—Ho3—O8—C19 | −107.4 (11) | C35v—C35—C36—C32 | −3.0 (19) |
| O5W—Ho3—O8—C19 | 127.9 (10) | C34v—C35—C36—C32 | 178.6 (10) |
| C31—Ho3—O8—C19 | 75.6 (10) | C33—C32—C36—C35 | 3.9 (17) |
| O20ii—Ho3—O12—C31 | 12.5 (9) | C31—C32—C36—C35 | −171.2 (10) |
| O17—Ho3—O12—C31 | −140.0 (8) | Ho2—O13—C37—O14 | −22.7 (19) |
| O21—Ho3—O12—C31 | 141.4 (7) | Ho2—O13—C37—C38 | 156.1 (8) |
| O14—Ho3—O12—C31 | 78.2 (7) | Ho3—O14—C37—O13 | 57.0 (15) |
| O8—Ho3—O12—C31 | −56.3 (7) | Ho3—O14—C37—C38 | −121.8 (9) |
| O4W—Ho3—O12—C31 | −93.9 (8) | O13—C37—C38—C48 | −38.8 (15) |
| O5W—Ho3—O12—C31 | 146.0 (8) | O14—C37—C38—C48 | 140.0 (11) |
| O11—Ho2—O13—C37 | 38.7 (11) | O13—C37—C38—C39 | 142.3 (11) |
| O2—Ho2—O13—C37 | 121.3 (11) | O14—C37—C38—C39 | −38.9 (15) |
| O6—Ho2—O13—C37 | −166.7 (11) | C48—C38—C39—C40 | 2.3 (17) |
| O19ii—Ho2—O13—C37 | −91.7 (11) | C37—C38—C39—C40 | −178.8 (10) |
| O7—Ho2—O13—C37 | −27.2 (13) | C38—C39—C40—C41 | −1.2 (17) |
| O3W—Ho2—O13—C37 | 117.1 (12) | C39—C40—C41—C42 | 176.2 (11) |
| O20ii—Ho2—O13—C37 | −43.0 (11) | C39—C40—C41—C47 | −2.1 (16) |
| C56ii—Ho2—O13—C37 | −70.4 (11) | C40—C41—C42—C43 | −178.7 (10) |
| O20ii—Ho3—O14—C37 | 5.3 (8) | C47—C41—C42—C43 | −0.4 (16) |
| O17—Ho3—O14—C37 | 173.3 (8) | C41—C42—C43—C45 | −3.5 (15) |
| O21—Ho3—O14—C37 | 94.6 (9) | C41—C42—C43—C44 | 169.5 (10) |
| O12—Ho3—O14—C37 | −124.6 (9) | Ho4vii—O16—C44—O15 | 22.1 (14) |
| O8—Ho3—O14—C37 | −60.6 (10) | Ho4vii—O16—C44—C43 | −152.1 (8) |
| O4W—Ho3—O14—C37 | 47.6 (10) | C42—C43—C44—O15 | −166.0 (10) |
| O5W—Ho3—O14—C37 | 167.6 (9) | C45—C43—C44—O15 | 7.0 (16) |
| C31—Ho3—O14—C37 | −100.6 (9) | C42—C43—C44—O16 | 8.4 (16) |
| O20ii—Ho3—O17—C49 | −166.4 (9) | C45—C43—C44—O16 | −178.7 (10) |
| O21—Ho3—O17—C49 | 108.6 (10) | C42—C43—C44—Ho4vii | −42 (2) |
| O12—Ho3—O17—C49 | −28.6 (10) | C45—C43—C44—Ho4vii | 130.7 (14) |
| O14—Ho3—O17—C49 | 34.6 (11) | C42—C43—C45—C46 | 4.1 (16) |
| O8—Ho3—O17—C49 | −106.3 (10) | C44—C43—C45—C46 | −169.1 (10) |
| O4W—Ho3—O17—C49 | −179.2 (10) | C43—C45—C46—C47 | −0.7 (16) |
| O5W—Ho3—O17—C49 | 40.1 (9) | C42—C41—C47—C48 | −174.1 (9) |
| C31—Ho3—O17—C49 | −43.7 (10) | C40—C41—C47—C48 | 4.3 (15) |
| O22—Ho4—O18—C49 | −31.4 (12) | C42—C41—C47—C46 | 3.8 (15) |
| O23viii—Ho4—O18—C49 | −177.7 (12) | C40—C41—C47—C46 | −177.8 (10) |
| O16vii—Ho4—O18—C49 | 44.2 (13) | C45—C46—C47—C48 | 174.6 (10) |
| O4v—Ho4—O18—C49 | 105.9 (12) | C45—C46—C47—C41 | −3.3 (16) |
| O9vi—Ho4—O18—C49 | −110.2 (11) | C39—C38—C48—C47 | −0.1 (17) |
| O6W—Ho4—O18—C49 | −104.2 (12) | C37—C38—C48—C47 | −179.0 (10) |
| O5W—Ho4—O18—C49 | 37.4 (11) | C41—C47—C48—C38 | −3.3 (16) |
| C44vii—Ho4—O18—C49 | 74.5 (13) | C46—C47—C48—C38 | 178.9 (11) |
| O20ii—Ho3—O21—C61 | 179.4 (12) | Ho4—O18—C49—O17 | 17.4 (18) |
| O17—Ho3—O21—C61 | −34.7 (11) | Ho4—O18—C49—C50 | −165.5 (8) |
| O12—Ho3—O21—C61 | 38.9 (13) | Ho3—O17—C49—O18 | −83.7 (14) |
| O14—Ho3—O21—C61 | 103.1 (12) | Ho3—O17—C49—C50 | 99.1 (11) |
| O8—Ho3—O21—C61 | −110.6 (11) | O18—C49—C50—C60 | −165.1 (10) |
| O4W—Ho3—O21—C61 | −107.0 (12) | O17—C49—C50—C60 | 12.2 (15) |
| O5W—Ho3—O21—C61 | 34.5 (11) | O18—C49—C50—C51 | 11.2 (16) |
| C31—Ho3—O21—C61 | 70.7 (14) | O17—C49—C50—C51 | −171.4 (10) |
| O23viii—Ho4—O22—C61 | −167.4 (9) | C60—C50—C51—C52 | 3.5 (16) |
| O18—Ho4—O22—C61 | 107.3 (10) | C49—C50—C51—C52 | −172.8 (9) |
| O16vii—Ho4—O22—C61 | −28.3 (10) | C50—C51—C52—C58 | −2.0 (15) |
| O4v—Ho4—O22—C61 | 36.1 (11) | C50—C51—C52—C53 | 176.9 (10) |
| O9vi—Ho4—O22—C61 | −103.8 (10) | C51—C52—C53—C54 | −172.7 (10) |
| O6W—Ho4—O22—C61 | −177.3 (10) | C58—C52—C53—C54 | 6.2 (16) |
| O5W—Ho4—O22—C61 | 39.1 (10) | C52—C53—C54—C55 | −2.1 (16) |
| C44vii—Ho4—O22—C61 | −42.5 (10) | C53—C54—C55—C57 | −2.5 (17) |
| Ho2—O2—C1—O1 | −4(2) | C53—C54—C55—C56 | 168.0 (10) |
| Ho2—O2—C1—C2 | −179.4 (8) | Ho2viii—O19—C56—O20 | −19.2 (12) |
| Ho1—O1—C1—O2 | 92 (2) | Ho2viii—O19—C56—C55 | 153.9 (8) |
| Ho1—O1—C1—C2 | −92.3 (18) | Ho2viii—O20—C56—O19 | 15.1 (10) |
| O2—C1—C2—C3 | −18.2 (17) | Ho2viii—O20—C56—C55 | −157.9 (10) |
| O1—C1—C2—C3 | 165.8 (11) | C57—C55—C56—O19 | −12.4 (16) |
| O2—C1—C2—C12 | 160.1 (11) | C54—C55—C56—O19 | 177.0 (10) |
| O1—C1—C2—C12 | −15.9 (15) | C57—C55—C56—O20 | 161.0 (10) |
| C12—C2—C3—C4 | −0.2 (16) | C54—C55—C56—O20 | −9.6 (16) |
| C1—C2—C3—C4 | 178.1 (10) | C57—C55—C56—Ho2viii | 41 (2) |
| C2—C3—C4—C5 | 179.2 (11) | C54—C55—C56—Ho2viii | −129.7 (15) |
| C2—C3—C4—C10 | 0.8 (16) | C54—C55—C57—C58 | 2.9 (17) |
| C10—C4—C5—C6 | −1.1 (16) | C56—C55—C57—C58 | −167.6 (10) |
| C3—C4—C5—C6 | −179.5 (11) | C55—C57—C58—C52 | 1.3 (16) |
| C4—C5—C6—C7 | 3.6 (17) | C55—C57—C58—C59 | 175.0 (11) |
| C5—C6—C7—C9 | −3.2 (17) | C51—C52—C58—C57 | 173.1 (9) |
| C5—C6—C7—C8 | −179.6 (10) | C53—C52—C58—C57 | −5.8 (15) |
| Ho4v—O4—C8—O3 | −55.0 (16) | C51—C52—C58—C59 | −0.9 (15) |
| Ho4v—O4—C8—C7 | 121.4 (10) | C53—C52—C58—C59 | −179.9 (9) |
| Ho1i—O3—C8—O4 | 14.9 (19) | C57—C58—C59—C60 | −171.3 (10) |
| Ho1i—O3—C8—C7 | −161.5 (8) | C52—C58—C59—C60 | 2.6 (16) |
| C9—C7—C8—O4 | −138.4 (12) | C58—C59—C60—C50 | −1.2 (17) |
| C6—C7—C8—O4 | 38.0 (16) | C51—C50—C60—C59 | −1.9 (17) |
| C9—C7—C8—O3 | 38.2 (16) | C49—C50—C60—C59 | 174.4 (10) |
| C6—C7—C8—O3 | −145.4 (11) | Ho3—O21—C61—O22 | 22.6 (18) |
| C6—C7—C9—C10 | 0.4 (17) | Ho3—O21—C61—C62 | −161.9 (8) |
| C8—C7—C9—C10 | 176.9 (10) | Ho4—O22—C61—O21 | −85.9 (14) |
| C7—C9—C10—C4 | 2.1 (16) | Ho4—O22—C61—C62 | 98.5 (11) |
| C7—C9—C10—C11 | 179.8 (10) | O21—C61—C62—C72 | 13.2 (16) |
| C5—C4—C10—C9 | −1.7 (16) | O22—C61—C62—C72 | −171.0 (10) |
| C3—C4—C10—C9 | 176.8 (9) | O21—C61—C62—C63 | −165.0 (10) |
| C5—C4—C10—C11 | −179.5 (10) | O22—C61—C62—C63 | 10.9 (15) |
| C3—C4—C10—C11 | −0.9 (16) | C72—C62—C63—C64 | −2.6 (16) |
| C9—C10—C11—C12 | −177.2 (10) | C61—C62—C63—C64 | 175.6 (10) |
| C4—C10—C11—C12 | 0.5 (16) | C62—C63—C64—C65 | −1.0 (16) |
| C10—C11—C12—C2 | 0.1 (16) | C63—C64—C65—C66 | −173.8 (10) |
| C3—C2—C12—C11 | −0.3 (16) | C63—C64—C65—C71 | 3.8 (16) |
| C1—C2—C12—C11 | −178.6 (10) | C71—C65—C66—C67 | −3.6 (16) |
| Ho1—O5—C13—O6 | −10 (2) | C64—C65—C66—C67 | 173.9 (10) |
| Ho1—O5—C13—C14 | 175.0 (10) | C65—C66—C67—C69 | 6.3 (16) |
| Ho2—O6—C13—O5 | 88.6 (15) | C65—C66—C67—C68 | −166.6 (10) |
| Ho2—O6—C13—C14 | −96.4 (13) | Ho1vi—O23—C68—O24 | 21.2 (11) |
| O5—C13—C14—C18 | −15.3 (16) | Ho1vi—O23—C68—C67 | −154.9 (10) |
| O6—C13—C14—C18 | 169.3 (10) | Ho1vi—O24—C68—O23 | −26.8 (13) |
| O5—C13—C14—C15 | 165.3 (10) | C66—C67—C68—O23 | 159.0 (11) |
| O6—C13—C14—C15 | −10.0 (15) | C69—C67—C68—O23 | −13.5 (17) |
| C18—C14—C15—C16 | 3.1 (16) | C66—C67—C68—O24 | −17.2 (16) |
| C13—C14—C15—C16 | −177.5 (10) | C69—C67—C68—O24 | 170.3 (11) |
| C14—C15—C16—C17 | −2.4 (16) | C66—C67—C68—Ho1vi | 43 (2) |
| C15—C16—C17—C18iii | −178.1 (10) | C69—C67—C68—Ho1vi | −129.5 (15) |
| C15—C16—C17—C17iii | −0.1 (18) | C66—C67—C69—C70 | −4.5 (16) |
| C15—C14—C18—C17iii | −1.3 (16) | C68—C67—C69—C70 | 168.0 (11) |
| C13—C14—C18—C17iii | 179.3 (10) | C67—C69—C70—C71 | −0.1 (17) |
| Ho2—O7—C19—O8 | −57.9 (16) | C69—C70—C71—C72 | −172.6 (11) |
| Ho2—O7—C19—C20 | 121.5 (9) | C69—C70—C71—C65 | 2.9 (16) |
| Ho3—O8—C19—O7 | 15.9 (18) | C66—C65—C71—C70 | −1.0 (15) |
| Ho3—O8—C19—C20 | −163.5 (7) | C64—C65—C71—C70 | −178.7 (10) |
| O7—C19—C20—C21 | −137.2 (11) | C66—C65—C71—C72 | 174.7 (10) |
| O8—C19—C20—C21 | 42.2 (15) | C64—C65—C71—C72 | −3.0 (15) |
| O7—C19—C20—C30 | 35.8 (16) | C63—C62—C72—C71 | 3.3 (16) |
| O8—C19—C20—C30 | −144.8 (11) | C61—C62—C72—C71 | −174.8 (9) |
| C30—C20—C21—C22 | 1.7 (16) | C70—C71—C72—C62 | 175.0 (10) |
| C19—C20—C21—C22 | 174.6 (10) | C65—C71—C72—C62 | −0.5 (15) |
| C20—C21—C22—C23 | 178.3 (11) |
Selected bond lengths (Å)
| Ho1—O1 | 2.313 (8) |
| Ho1—O3i | 2.335 (7) |
| Ho1—O5 | 2.277 (8) |
| Ho1—O10ii | 2.314 (8) |
| Ho1—O15iii | 2.309 (8) |
| Ho1—O23iv | 2.847 (9) |
| Ho1—O24iv | 2.311 (8) |
| Ho1—O2 | 2.370 (8) |
| Ho2—O2 | 2.299 (8) |
| Ho2—O6 | 2.316 (8) |
| Ho2—O7 | 2.338 (8) |
| Ho2—O11 | 2.264 (8) |
| Ho2—O13 | 2.347 (8) |
| Ho2—O19ii | 2.338 (8) |
| Ho2—O20ii | 2.876 (8) |
| Ho2—O3 | 2.423 (9) |
| Ho3—O8 | 2.410 (8) |
| Ho3—O12 | 2.337 (8) |
| Ho3—O14 | 2.356 (8) |
| Ho3—O17 | 2.299 (7) |
| Ho3—O20ii | 2.299 (8) |
| Ho3—O21 | 2.300 (8) |
| Ho3—O4 | 2.469 (8) |
| Ho3—O5 | 2.640 (6) |
| Ho4—O4v | 2.360 (8) |
| Ho4—O9vi | 2.382 (7) |
| Ho4—O16vii | 2.342 (8) |
| Ho4—O18 | 2.337 (7) |
| Ho4—O22 | 2.276 (7) |
| Ho4—O23viii | 2.296 (8) |
| Ho4—O5 | 2.671 (6) |
| Ho4—O6 | 2.453 (10) |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) .