| Literature DB >> 21754144 |
Mostafa Gholizadeh, Farrokhzad Mohammadi Zonoz, Mehrdad Pourayoubi, Maliheh Ebrahimpour, Maryam Salehabadi.
Abstract
In title salt, C(38)H(34)P(2) (2+)·2IO(4) (-), the P atoms of the dication and the I atoms of the periodate anions are each in a slightly distorted tetra-hedral environment. In the dication, the two -P(C(6)H(5))(3) groups adopt a gauche conformation with respect to each other. In the crystal, several C-H⋯O hydrogen bonds between the cations and anions lead to a two-dimensional arrangement along (101).Entities:
Year: 2011 PMID: 21754144 PMCID: PMC3099791 DOI: 10.1107/S1600536811008725
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C38H34P22+·2IO4− | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 9970 reflections |
| θ = 2.2–29.3° | |
| µ = 1.83 mm−1 | |
| β = 94.37 (3)° | Plate, colorless |
| 0.5 × 0.2 × 0.2 mm | |
| Stoe IPDS II diffractometer | 9970 independent reflections |
| Radiation source: fine-focus sealed tube | 7229 reflections with |
| graphite | |
| Detector resolution: 0.15 pixels mm-1 | θmax = 29.3°, θmin = 2.2° |
| rotation method scans | |
| Absorption correction: numerical [shape of crystal determined optically ( | |
| 26606 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 | |
| 9970 reflections | (Δ/σ)max < 0.001 |
| 451 parameters | Δρmax = 1.18 e Å−3 |
| 0 restraints | Δρmin = −1.68 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 |
| C17 | 0.5169 (13) | 0.5057 (5) | 0.3529 (4) | 0.080 (3) | |
| H17 | 0.5649 | 0.4623 | 0.3626 | 0.096* | |
| I1 | 0.78527 (5) | 0.81354 (3) | 0.04912 (2) | 0.05251 (15) | |
| I2 | 0.99789 (5) | 0.50851 (2) | 0.22398 (2) | 0.04750 (13) | |
| P2 | 0.79094 (14) | 0.76230 (7) | 0.37105 (5) | 0.0281 (3) | |
| P1 | 0.52902 (15) | 0.66259 (7) | 0.22621 (5) | 0.0288 (3) | |
| C13 | 0.4736 (7) | 0.6095 (3) | 0.2891 (2) | 0.0387 (12) | |
| C22 | 0.7211 (9) | 0.6477 (4) | 0.4439 (3) | 0.0553 (18) | |
| H22 | 0.6486 | 0.6780 | 0.4568 | 0.066* | |
| C7 | 0.3896 (6) | 0.7236 (3) | 0.1975 (2) | 0.0351 (11) | |
| C27 | 0.7309 (7) | 0.8181 (3) | 0.4310 (2) | 0.0382 (12) | |
| C1 | 0.5723 (7) | 0.6036 (3) | 0.1652 (2) | 0.0355 (11) | |
| C28 | 0.8096 (9) | 0.8135 (4) | 0.4882 (3) | 0.0519 (16) | |
| H28 | 0.8910 | 0.7837 | 0.4941 | 0.062* | |
| C19 | 0.6887 (6) | 0.7135 (3) | 0.2547 (2) | 0.0332 (10) | |
| H19A | 0.7654 | 0.6800 | 0.2687 | 0.040* | |
| H19B | 0.7236 | 0.7425 | 0.2219 | 0.040* | |
| C33 | 0.9613 (6) | 0.7949 (3) | 0.3475 (2) | 0.0327 (10) | |
| C20 | 0.6531 (6) | 0.7637 (3) | 0.3075 (2) | 0.0336 (11) | |
| H20A | 0.5606 | 0.7491 | 0.3220 | 0.040* | |
| H20B | 0.6425 | 0.8131 | 0.2924 | 0.040* | |
| C21 | 0.8146 (7) | 0.6714 (3) | 0.4001 (2) | 0.0357 (11) | |
| C12 | 0.2447 (7) | 0.7006 (4) | 0.1924 (3) | 0.0479 (14) | |
| H12 | 0.2183 | 0.6568 | 0.2096 | 0.058* | |
| C6 | 0.4850 (8) | 0.5428 (3) | 0.1532 (3) | 0.0479 (15) | |
| H6 | 0.4116 | 0.5317 | 0.1786 | 0.057* | |
| C26 | 0.9184 (8) | 0.6259 (3) | 0.3797 (3) | 0.0459 (14) | |
| H26 | 0.9783 | 0.6416 | 0.3502 | 0.055* | |
| C32 | 0.6125 (7) | 0.8641 (3) | 0.4224 (3) | 0.0434 (13) | |
| H32 | 0.5630 | 0.8680 | 0.3841 | 0.052* | |
| C8 | 0.4276 (8) | 0.7889 (4) | 0.1725 (3) | 0.0482 (14) | |
| H8 | 0.5239 | 0.8047 | 0.1759 | 0.058* | |
| C30 | 0.6429 (12) | 0.8995 (4) | 0.5272 (3) | 0.067 (2) | |
| H30 | 0.6130 | 0.9265 | 0.5598 | 0.081* | |
| C31 | 0.5667 (10) | 0.9049 (4) | 0.4710 (4) | 0.063 (2) | |
| H31 | 0.4860 | 0.9352 | 0.4655 | 0.075* | |
| C9 | 0.3191 (10) | 0.8310 (5) | 0.1422 (4) | 0.066 (2) | |
| H9 | 0.3432 | 0.8755 | 0.1256 | 0.079* | |
| C4 | 0.6197 (10) | 0.5157 (4) | 0.0671 (3) | 0.064 (2) | |
| H4 | 0.6365 | 0.4856 | 0.0344 | 0.077* | |
| C29 | 0.7614 (11) | 0.8552 (5) | 0.5358 (3) | 0.067 (2) | |
| H29 | 0.8113 | 0.8527 | 0.5742 | 0.080* | |
| C2 | 0.6809 (8) | 0.6204 (4) | 0.1274 (3) | 0.0491 (15) | |
| H2 | 0.7373 | 0.6619 | 0.1349 | 0.059* | |
| C5 | 0.5067 (10) | 0.4989 (4) | 0.1040 (3) | 0.061 (2) | |
| H5 | 0.4473 | 0.4587 | 0.0953 | 0.073* | |
| C11 | 0.1412 (8) | 0.7438 (5) | 0.1615 (4) | 0.064 (2) | |
| H11 | 0.0445 | 0.7289 | 0.1579 | 0.077* | |
| C23 | 0.7404 (12) | 0.5777 (5) | 0.4673 (4) | 0.075 (3) | |
| H23 | 0.6809 | 0.5611 | 0.4967 | 0.091* | |
| C10 | 0.1786 (9) | 0.8080 (5) | 0.1363 (4) | 0.069 (2) | |
| H10 | 0.1079 | 0.8362 | 0.1150 | 0.082* | |
| C3 | 0.7065 (10) | 0.5760 (5) | 0.0784 (3) | 0.069 (2) | |
| H3 | 0.7810 | 0.5867 | 0.0536 | 0.083* | |
| C25 | 0.9331 (10) | 0.5565 (4) | 0.4036 (4) | 0.064 (2) | |
| H25 | 1.0028 | 0.5252 | 0.3898 | 0.076* | |
| C24 | 0.8452 (12) | 0.5334 (5) | 0.4477 (5) | 0.079 (3) | |
| H24 | 0.8577 | 0.4870 | 0.4642 | 0.094* | |
| C34 | 1.0851 (7) | 0.7827 (4) | 0.3851 (3) | 0.0451 (14) | |
| H34 | 1.0800 | 0.7545 | 0.4200 | 0.054* | |
| C38 | 0.9676 (8) | 0.8376 (3) | 0.2951 (3) | 0.0428 (13) | |
| H38 | 0.8840 | 0.8467 | 0.2698 | 0.051* | |
| O4 | 0.7872 (7) | 0.8035 (4) | 0.1293 (3) | 0.0770 (18) | |
| C14 | 0.3675 (8) | 0.6350 (5) | 0.3252 (3) | 0.0519 (16) | |
| H14 | 0.3179 | 0.6780 | 0.3155 | 0.062* | |
| O1 | 0.6096 (8) | 0.8275 (6) | 0.0168 (4) | 0.117 (3) | |
| O3 | 0.8942 (9) | 0.8885 (4) | 0.0339 (3) | 0.092 (2) | |
| C37 | 1.1017 (9) | 0.8662 (4) | 0.2815 (3) | 0.0557 (18) | |
| H37 | 1.1079 | 0.8947 | 0.2468 | 0.067* | |
| C18 | 0.5491 (9) | 0.5449 (4) | 0.3023 (3) | 0.0509 (16) | |
| H18 | 0.6196 | 0.5286 | 0.2774 | 0.061* | |
| C15 | 0.3371 (10) | 0.5946 (7) | 0.3765 (3) | 0.077 (3) | |
| H15 | 0.2665 | 0.6107 | 0.4014 | 0.092* | |
| O7 | 0.9244 (10) | 0.5937 (4) | 0.2375 (4) | 0.106 (3) | |
| C35 | 1.2175 (8) | 0.8120 (4) | 0.3713 (4) | 0.0588 (19) | |
| H35 | 1.3007 | 0.8044 | 0.3973 | 0.071* | |
| O2 | 0.8591 (11) | 0.7359 (5) | 0.0176 (4) | 0.120 (3) | |
| O5 | 1.0677 (11) | 0.5069 (4) | 0.1517 (4) | 0.112 (3) | |
| O6 | 1.1384 (11) | 0.4915 (6) | 0.2794 (5) | 0.132 (4) | |
| C16 | 0.4092 (12) | 0.5326 (6) | 0.3902 (4) | 0.083 (3) | |
| H16 | 0.3883 | 0.5066 | 0.4247 | 0.100* | |
| C36 | 1.2246 (9) | 0.8524 (4) | 0.3193 (4) | 0.067 (2) | |
| H36 | 1.3139 | 0.8707 | 0.3093 | 0.080* | |
| O8 | 0.8702 (12) | 0.4403 (5) | 0.2268 (4) | 0.130 (4) |
| C17 | 0.109 (8) | 0.077 (6) | 0.050 (4) | −0.039 (5) | −0.024 (5) | 0.033 (4) |
| I1 | 0.0562 (3) | 0.0506 (3) | 0.0483 (2) | 0.00431 (19) | −0.01228 (18) | −0.00348 (17) |
| I2 | 0.0502 (3) | 0.0379 (2) | 0.0542 (2) | 0.00568 (17) | 0.00268 (17) | −0.00459 (16) |
| P2 | 0.0279 (6) | 0.0320 (6) | 0.0239 (5) | −0.0021 (5) | −0.0013 (4) | 0.0009 (4) |
| P1 | 0.0318 (7) | 0.0309 (6) | 0.0232 (5) | 0.0021 (5) | −0.0005 (4) | −0.0021 (4) |
| C13 | 0.046 (3) | 0.042 (3) | 0.029 (2) | −0.007 (2) | 0.003 (2) | 0.003 (2) |
| C22 | 0.072 (5) | 0.049 (4) | 0.045 (3) | −0.017 (3) | 0.002 (3) | 0.010 (3) |
| C7 | 0.037 (3) | 0.036 (3) | 0.031 (2) | 0.008 (2) | −0.004 (2) | −0.002 (2) |
| C27 | 0.044 (3) | 0.045 (3) | 0.027 (2) | −0.010 (2) | 0.005 (2) | −0.005 (2) |
| C1 | 0.044 (3) | 0.032 (3) | 0.029 (2) | 0.009 (2) | −0.004 (2) | −0.0062 (19) |
| C28 | 0.069 (5) | 0.059 (4) | 0.028 (3) | 0.000 (3) | 0.000 (3) | −0.005 (2) |
| C19 | 0.030 (3) | 0.039 (3) | 0.030 (2) | 0.001 (2) | 0.0000 (18) | −0.004 (2) |
| C33 | 0.033 (3) | 0.031 (2) | 0.034 (2) | −0.004 (2) | 0.005 (2) | 0.0018 (19) |
| C20 | 0.036 (3) | 0.038 (3) | 0.026 (2) | −0.001 (2) | −0.0031 (19) | −0.0090 (19) |
| C21 | 0.042 (3) | 0.034 (3) | 0.030 (2) | −0.005 (2) | −0.004 (2) | 0.005 (2) |
| C12 | 0.037 (3) | 0.054 (4) | 0.052 (3) | 0.003 (3) | −0.003 (3) | −0.005 (3) |
| C6 | 0.064 (4) | 0.040 (3) | 0.039 (3) | 0.002 (3) | −0.002 (3) | −0.006 (2) |
| C26 | 0.052 (4) | 0.033 (3) | 0.053 (3) | 0.001 (3) | −0.003 (3) | 0.004 (2) |
| C32 | 0.045 (3) | 0.045 (3) | 0.041 (3) | 0.001 (3) | 0.008 (2) | −0.008 (2) |
| C8 | 0.044 (3) | 0.042 (3) | 0.057 (4) | 0.001 (3) | −0.010 (3) | 0.009 (3) |
| C30 | 0.108 (7) | 0.054 (4) | 0.044 (4) | −0.011 (5) | 0.032 (4) | −0.014 (3) |
| C31 | 0.069 (5) | 0.059 (4) | 0.064 (4) | −0.002 (4) | 0.029 (4) | −0.020 (4) |
| C9 | 0.064 (5) | 0.056 (4) | 0.074 (5) | 0.015 (4) | −0.014 (4) | 0.024 (4) |
| C4 | 0.083 (6) | 0.059 (4) | 0.049 (4) | 0.026 (4) | −0.004 (4) | −0.020 (3) |
| C29 | 0.112 (7) | 0.068 (5) | 0.021 (3) | −0.025 (5) | 0.006 (3) | −0.005 (3) |
| C2 | 0.051 (4) | 0.057 (4) | 0.040 (3) | −0.004 (3) | 0.012 (3) | −0.011 (3) |
| C5 | 0.082 (6) | 0.048 (4) | 0.049 (4) | 0.003 (4) | −0.014 (4) | −0.013 (3) |
| C11 | 0.038 (4) | 0.074 (5) | 0.078 (5) | 0.015 (4) | −0.014 (3) | −0.018 (4) |
| C23 | 0.094 (7) | 0.077 (6) | 0.054 (4) | −0.038 (5) | −0.007 (4) | 0.031 (4) |
| C10 | 0.055 (5) | 0.073 (5) | 0.073 (5) | 0.028 (4) | −0.026 (4) | −0.004 (4) |
| C3 | 0.074 (6) | 0.090 (6) | 0.046 (4) | 0.001 (5) | 0.021 (4) | −0.025 (4) |
| C25 | 0.067 (5) | 0.037 (3) | 0.083 (5) | 0.000 (3) | −0.016 (4) | 0.008 (3) |
| C24 | 0.098 (7) | 0.044 (4) | 0.087 (6) | −0.024 (5) | −0.038 (5) | 0.027 (4) |
| C34 | 0.031 (3) | 0.052 (4) | 0.051 (3) | −0.005 (3) | −0.004 (2) | 0.008 (3) |
| C38 | 0.052 (4) | 0.042 (3) | 0.036 (3) | −0.006 (3) | 0.009 (2) | 0.008 (2) |
| O4 | 0.067 (4) | 0.106 (5) | 0.057 (3) | −0.007 (3) | −0.001 (3) | 0.016 (3) |
| C14 | 0.047 (4) | 0.074 (5) | 0.034 (3) | −0.014 (3) | 0.005 (2) | 0.000 (3) |
| O1 | 0.068 (5) | 0.158 (8) | 0.117 (6) | 0.024 (5) | −0.047 (4) | −0.020 (6) |
| O3 | 0.124 (6) | 0.079 (4) | 0.074 (4) | −0.027 (4) | 0.012 (4) | 0.006 (3) |
| C37 | 0.069 (5) | 0.038 (3) | 0.064 (4) | −0.005 (3) | 0.029 (4) | 0.010 (3) |
| C18 | 0.062 (4) | 0.045 (3) | 0.043 (3) | −0.005 (3) | −0.011 (3) | 0.009 (3) |
| C15 | 0.068 (5) | 0.128 (9) | 0.037 (3) | −0.034 (6) | 0.011 (3) | 0.007 (4) |
| O7 | 0.136 (7) | 0.074 (4) | 0.107 (5) | 0.062 (5) | 0.003 (5) | −0.027 (4) |
| C35 | 0.033 (3) | 0.056 (4) | 0.087 (5) | −0.007 (3) | 0.002 (3) | 0.011 (4) |
| O2 | 0.138 (8) | 0.085 (5) | 0.135 (7) | 0.039 (5) | −0.003 (6) | −0.040 (5) |
| O5 | 0.161 (9) | 0.098 (6) | 0.085 (5) | 0.021 (5) | 0.067 (6) | 0.018 (4) |
| O6 | 0.121 (7) | 0.136 (8) | 0.128 (7) | 0.052 (6) | −0.066 (6) | −0.025 (6) |
| C16 | 0.092 (7) | 0.109 (8) | 0.047 (4) | −0.044 (6) | −0.006 (4) | 0.037 (5) |
| C36 | 0.050 (4) | 0.055 (4) | 0.099 (6) | −0.015 (4) | 0.031 (4) | 0.004 (4) |
| O8 | 0.155 (9) | 0.120 (7) | 0.118 (6) | −0.085 (7) | 0.032 (6) | −0.020 (5) |
| C17—C18 | 1.376 (10) | C26—C25 | 1.383 (9) |
| C17—C16 | 1.423 (16) | C26—H26 | 0.9300 |
| C17—H17 | 0.9300 | C32—C31 | 1.396 (8) |
| I1—O1 | 1.736 (7) | C32—H32 | 0.9300 |
| I1—O2 | 1.747 (7) | C8—C9 | 1.393 (9) |
| I1—O3 | 1.752 (7) | C8—H8 | 0.9300 |
| I1—O4 | 1.772 (6) | C30—C29 | 1.363 (13) |
| I2—O8 | 1.723 (8) | C30—C31 | 1.378 (13) |
| I2—O6 | 1.737 (8) | C30—H30 | 0.9300 |
| I2—O7 | 1.741 (6) | C31—H31 | 0.9300 |
| I2—O5 | 1.760 (6) | C9—C10 | 1.357 (13) |
| P2—C27 | 1.791 (6) | C9—H9 | 0.9300 |
| P2—C33 | 1.792 (5) | C4—C3 | 1.377 (13) |
| P2—C21 | 1.796 (6) | C4—C5 | 1.402 (13) |
| P2—C20 | 1.814 (5) | C4—H4 | 0.9300 |
| P1—C7 | 1.784 (5) | C29—H29 | 0.9300 |
| P1—C1 | 1.793 (5) | C2—C3 | 1.386 (9) |
| P1—C13 | 1.798 (6) | C2—H2 | 0.9300 |
| P1—C19 | 1.814 (6) | C5—H5 | 0.9300 |
| C13—C14 | 1.387 (9) | C11—C10 | 1.359 (13) |
| C13—C18 | 1.396 (9) | C11—H11 | 0.9300 |
| C22—C23 | 1.393 (11) | C23—C24 | 1.358 (15) |
| C22—C21 | 1.408 (9) | C23—H23 | 0.9300 |
| C22—H22 | 0.9300 | C10—H10 | 0.9300 |
| C7—C8 | 1.377 (9) | C3—H3 | 0.9300 |
| C7—C12 | 1.396 (9) | C25—C24 | 1.376 (14) |
| C27—C32 | 1.381 (9) | C25—H25 | 0.9300 |
| C27—C28 | 1.406 (8) | C24—H24 | 0.9300 |
| C1—C2 | 1.384 (9) | C34—C35 | 1.388 (9) |
| C1—C6 | 1.391 (9) | C34—H34 | 0.9300 |
| C28—C29 | 1.398 (10) | C38—C37 | 1.395 (10) |
| C28—H28 | 0.9300 | C38—H38 | 0.9300 |
| C19—C20 | 1.539 (7) | C14—C15 | 1.398 (10) |
| C19—H19A | 0.9700 | C14—H14 | 0.9300 |
| C19—H19B | 0.9700 | C37—C36 | 1.376 (12) |
| C33—C34 | 1.375 (8) | C37—H37 | 0.9300 |
| C33—C38 | 1.398 (7) | C18—H18 | 0.9300 |
| C20—H20A | 0.9700 | C15—C16 | 1.341 (16) |
| C20—H20B | 0.9700 | C15—H15 | 0.9300 |
| C21—C26 | 1.370 (9) | C35—C36 | 1.370 (11) |
| C12—C11 | 1.379 (10) | C35—H35 | 0.9300 |
| C12—H12 | 0.9300 | C16—H16 | 0.9300 |
| C6—C5 | 1.378 (9) | C36—H36 | 0.9300 |
| C6—H6 | 0.9300 | ||
| C18—C17—C16 | 119.2 (9) | C27—C32—C31 | 120.4 (6) |
| C18—C17—H17 | 120.4 | C27—C32—H32 | 119.8 |
| C16—C17—H17 | 120.4 | C31—C32—H32 | 119.8 |
| O1—I1—O2 | 109.7 (4) | C7—C8—C9 | 118.7 (7) |
| O1—I1—O3 | 109.5 (5) | C7—C8—H8 | 120.7 |
| O2—I1—O3 | 108.7 (5) | C9—C8—H8 | 120.7 |
| O1—I1—O4 | 111.2 (4) | C29—C30—C31 | 121.0 (7) |
| O2—I1—O4 | 109.6 (4) | C29—C30—H30 | 119.5 |
| O3—I1—O4 | 108.0 (3) | C31—C30—H30 | 119.5 |
| O8—I2—O6 | 108.5 (6) | C30—C31—C32 | 119.0 (8) |
| O8—I2—O7 | 111.9 (5) | C30—C31—H31 | 120.5 |
| O6—I2—O7 | 108.7 (4) | C32—C31—H31 | 120.5 |
| O8—I2—O5 | 108.5 (4) | C10—C9—C8 | 121.1 (8) |
| O6—I2—O5 | 109.1 (5) | C10—C9—H9 | 119.5 |
| O7—I2—O5 | 110.1 (4) | C8—C9—H9 | 119.5 |
| C27—P2—C33 | 110.3 (3) | C3—C4—C5 | 121.3 (6) |
| C27—P2—C21 | 107.9 (3) | C3—C4—H4 | 119.4 |
| C33—P2—C21 | 109.2 (3) | C5—C4—H4 | 119.4 |
| C27—P2—C20 | 108.8 (3) | C30—C29—C28 | 121.3 (7) |
| C33—P2—C20 | 110.4 (3) | C30—C29—H29 | 119.3 |
| C21—P2—C20 | 110.2 (3) | C28—C29—H29 | 119.3 |
| C7—P1—C1 | 108.1 (2) | C1—C2—C3 | 120.6 (7) |
| C7—P1—C13 | 112.0 (3) | C1—C2—H2 | 119.7 |
| C1—P1—C13 | 109.8 (3) | C3—C2—H2 | 119.7 |
| C7—P1—C19 | 109.9 (3) | C6—C5—C4 | 119.0 (7) |
| C1—P1—C19 | 110.5 (3) | C6—C5—H5 | 120.5 |
| C13—P1—C19 | 106.6 (3) | C4—C5—H5 | 120.5 |
| C14—C13—C18 | 122.0 (6) | C10—C11—C12 | 121.0 (8) |
| C14—C13—P1 | 120.7 (5) | C10—C11—H11 | 119.5 |
| C18—C13—P1 | 117.1 (5) | C12—C11—H11 | 119.5 |
| C23—C22—C21 | 118.1 (8) | C24—C23—C22 | 120.7 (8) |
| C23—C22—H22 | 120.9 | C24—C23—H23 | 119.7 |
| C21—C22—H22 | 120.9 | C22—C23—H23 | 119.7 |
| C8—C7—C12 | 120.2 (6) | C9—C10—C11 | 120.0 (7) |
| C8—C7—P1 | 119.5 (5) | C9—C10—H10 | 120.0 |
| C12—C7—P1 | 119.7 (5) | C11—C10—H10 | 120.0 |
| C32—C27—C28 | 120.4 (6) | C4—C3—C2 | 118.9 (7) |
| C32—C27—P2 | 122.4 (4) | C4—C3—H3 | 120.5 |
| C28—C27—P2 | 117.2 (5) | C2—C3—H3 | 120.5 |
| C2—C1—C6 | 119.9 (5) | C24—C25—C26 | 120.4 (9) |
| C2—C1—P1 | 121.8 (5) | C24—C25—H25 | 119.8 |
| C6—C1—P1 | 118.0 (5) | C26—C25—H25 | 119.8 |
| C29—C28—C27 | 117.8 (7) | C23—C24—C25 | 120.6 (7) |
| C29—C28—H28 | 121.1 | C23—C24—H24 | 119.7 |
| C27—C28—H28 | 121.1 | C25—C24—H24 | 119.7 |
| C20—C19—P1 | 110.9 (4) | C33—C34—C35 | 120.5 (6) |
| C20—C19—H19A | 109.5 | C33—C34—H34 | 119.8 |
| P1—C19—H19A | 109.5 | C35—C34—H34 | 119.8 |
| C20—C19—H19B | 109.5 | C37—C38—C33 | 118.8 (6) |
| P1—C19—H19B | 109.5 | C37—C38—H38 | 120.6 |
| H19A—C19—H19B | 108.0 | C33—C38—H38 | 120.6 |
| C34—C33—C38 | 120.2 (6) | C13—C14—C15 | 118.4 (8) |
| C34—C33—P2 | 118.3 (4) | C13—C14—H14 | 120.8 |
| C38—C33—P2 | 121.2 (5) | C15—C14—H14 | 120.8 |
| C19—C20—P2 | 113.4 (4) | C36—C37—C38 | 120.1 (6) |
| C19—C20—H20A | 108.9 | C36—C37—H37 | 120.0 |
| P2—C20—H20A | 108.9 | C38—C37—H37 | 120.0 |
| C19—C20—H20B | 108.9 | C17—C18—C13 | 118.6 (8) |
| P2—C20—H20B | 108.9 | C17—C18—H18 | 120.7 |
| H20A—C20—H20B | 107.7 | C13—C18—H18 | 120.7 |
| C26—C21—C22 | 120.8 (6) | C16—C15—C14 | 120.5 (9) |
| C26—C21—P2 | 121.3 (5) | C16—C15—H15 | 119.8 |
| C22—C21—P2 | 117.8 (5) | C14—C15—H15 | 119.8 |
| C11—C12—C7 | 119.0 (7) | C36—C35—C34 | 119.4 (7) |
| C11—C12—H12 | 120.5 | C36—C35—H35 | 120.3 |
| C7—C12—H12 | 120.5 | C34—C35—H35 | 120.3 |
| C5—C6—C1 | 120.2 (7) | C15—C16—C17 | 121.4 (7) |
| C5—C6—H6 | 119.9 | C15—C16—H16 | 119.3 |
| C1—C6—H6 | 119.9 | C17—C16—H16 | 119.3 |
| C21—C26—C25 | 119.3 (7) | C35—C36—C37 | 121.0 (7) |
| C21—C26—H26 | 120.3 | C35—C36—H36 | 119.5 |
| C25—C26—H26 | 120.3 | C37—C36—H36 | 119.5 |
| C7—P1—C13—C14 | −25.4 (6) | C20—P2—C21—C22 | −86.0 (5) |
| C1—P1—C13—C14 | −145.5 (5) | C8—C7—C12—C11 | 0.7 (9) |
| C19—P1—C13—C14 | 94.8 (6) | P1—C7—C12—C11 | −170.0 (5) |
| C7—P1—C13—C18 | 159.2 (5) | C2—C1—C6—C5 | 0.4 (10) |
| C1—P1—C13—C18 | 39.1 (6) | P1—C1—C6—C5 | 175.0 (5) |
| C19—P1—C13—C18 | −80.6 (5) | C22—C21—C26—C25 | −1.4 (10) |
| C1—P1—C7—C8 | −90.0 (5) | P2—C21—C26—C25 | 179.7 (5) |
| C13—P1—C7—C8 | 148.9 (5) | C28—C27—C32—C31 | −2.0 (10) |
| C19—P1—C7—C8 | 30.7 (5) | P2—C27—C32—C31 | 177.8 (5) |
| C1—P1—C7—C12 | 80.8 (5) | C12—C7—C8—C9 | −0.3 (10) |
| C13—P1—C7—C12 | −40.3 (5) | P1—C7—C8—C9 | 170.5 (6) |
| C19—P1—C7—C12 | −158.5 (5) | C29—C30—C31—C32 | 0.0 (12) |
| C33—P2—C27—C32 | 109.9 (5) | C27—C32—C31—C30 | 1.1 (11) |
| C21—P2—C27—C32 | −130.9 (5) | C7—C8—C9—C10 | −0.9 (12) |
| C20—P2—C27—C32 | −11.3 (6) | C31—C30—C29—C28 | −0.3 (13) |
| C33—P2—C27—C28 | −70.3 (6) | C27—C28—C29—C30 | −0.5 (12) |
| C21—P2—C27—C28 | 49.0 (6) | C6—C1—C2—C3 | −1.8 (11) |
| C20—P2—C27—C28 | 168.5 (5) | P1—C1—C2—C3 | −176.2 (6) |
| C7—P1—C1—C2 | 91.2 (6) | C1—C6—C5—C4 | 1.3 (11) |
| C13—P1—C1—C2 | −146.4 (5) | C3—C4—C5—C6 | −1.6 (12) |
| C19—P1—C1—C2 | −29.1 (6) | C7—C12—C11—C10 | 0.0 (11) |
| C7—P1—C1—C6 | −83.3 (5) | C21—C22—C23—C24 | −0.9 (12) |
| C13—P1—C1—C6 | 39.2 (5) | C8—C9—C10—C11 | 1.6 (14) |
| C19—P1—C1—C6 | 156.4 (5) | C12—C11—C10—C9 | −1.1 (13) |
| C32—C27—C28—C29 | 1.7 (10) | C5—C4—C3—C2 | 0.2 (13) |
| P2—C27—C28—C29 | −178.2 (6) | C1—C2—C3—C4 | 1.5 (13) |
| C7—P1—C19—C20 | 61.5 (4) | C21—C26—C25—C24 | −0.5 (11) |
| C1—P1—C19—C20 | −179.4 (4) | C22—C23—C24—C25 | −0.9 (13) |
| C13—P1—C19—C20 | −60.1 (5) | C26—C25—C24—C23 | 1.6 (13) |
| C27—P2—C33—C34 | 74.2 (6) | C38—C33—C34—C35 | −0.4 (10) |
| C21—P2—C33—C34 | −44.2 (6) | P2—C33—C34—C35 | −174.6 (6) |
| C20—P2—C33—C34 | −165.6 (5) | C34—C33—C38—C37 | 1.0 (9) |
| C27—P2—C33—C38 | −100.0 (5) | P2—C33—C38—C37 | 175.1 (5) |
| C21—P2—C33—C38 | 141.5 (5) | C18—C13—C14—C15 | 0.5 (10) |
| C20—P2—C33—C38 | 20.2 (6) | P1—C13—C14—C15 | −174.7 (5) |
| P1—C19—C20—P2 | 136.1 (3) | C33—C38—C37—C36 | 0.0 (10) |
| C27—P2—C20—C19 | −176.4 (4) | C16—C17—C18—C13 | −0.5 (12) |
| C33—P2—C20—C19 | 62.5 (5) | C14—C13—C18—C17 | −0.2 (10) |
| C21—P2—C20—C19 | −58.2 (5) | P1—C13—C18—C17 | 175.1 (6) |
| C23—C22—C21—C26 | 2.1 (10) | C13—C14—C15—C16 | 0.0 (12) |
| C23—C22—C21—P2 | −179.0 (6) | C33—C34—C35—C36 | −1.2 (12) |
| C27—P2—C21—C26 | −148.4 (5) | C14—C15—C16—C17 | −0.7 (14) |
| C33—P2—C21—C26 | −28.5 (6) | C18—C17—C16—C15 | 1.0 (14) |
| C20—P2—C21—C26 | 93.0 (5) | C34—C35—C36—C37 | 2.1 (13) |
| C27—P2—C21—C22 | 32.7 (6) | C38—C37—C36—C35 | −1.6 (12) |
| C33—P2—C21—C22 | 152.6 (5) |
| H··· | ||||
| C30—H30···O5i | 0.93 | 2.43 | 3.351 (10) | 172 |
| C20—H20B···O8ii | 0.97 | 2.38 | 3.338 (11) | 170 |
| C19—H19B···O4 | 0.97 | 2.44 | 3.397 (8) | 171 |
| C19—H19A···O7 | 0.97 | 2.30 | 3.135 (8) | 144 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C30—H30⋯O5i | 0.93 | 2.43 | 3.351 (10) | 172 |
| C20—H20 | 0.97 | 2.38 | 3.338 (11) | 170 |
| C19—H19 | 0.97 | 2.44 | 3.397 (8) | 171 |
| C19—H19 | 0.97 | 2.30 | 3.135 (8) | 144 |
Symmetry codes: (i) ; (ii) .