| Literature DB >> 21583302 |
Yanfeng Dai1, Yi Zhang, Jianwen Tian, Zhen Liu.
Abstract
In the title compound, [Cu(C(18)H(15)P)(2)(H(2)O)]BF(4), the Cu(I) atom is coordinated by two P atoms from triphenyl-phosphine ligands and one water mol-ecule in a distorted trigonal geometry. In the BF(4) (-) anion, three F atoms are disordered over two sites around the B-F bond, the site-occupancy ratio being 0.67 (6):0.33 (6). The Cu⋯F distance of 2.602 (5) Å between the Cu atom and the ordered F atom may suggest a weak but genuine inter-action. O-H⋯F and weak C-H⋯F hydrogen bonding is present in the crystal structure.Entities:
Year: 2009 PMID: 21583302 PMCID: PMC2977191 DOI: 10.1107/S1600536809029559
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu(C18H15P)2(H2O)]BF4 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 2641 reflections |
| θ = 2.2–21.6° | |
| µ = 0.79 mm−1 | |
| β = 94.521 (1)° | Block, yellow |
| 0.48 × 0.19 × 0.16 mm | |
| Bruker SMART APEXII area-detector diffractometer | 5914 independent reflections |
| Radiation source: fine-focus sealed tube | 3008 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.0°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 17192 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 | |
| 5914 reflections | (Δ/σ)max = 0.001 |
| 434 parameters | Δρmax = 0.93 e Å−3 |
| 1 restraint | Δρmin = −0.36 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 |
| Occ. (<1) | |||||
| Cu1 | 0.36105 (6) | 0.80395 (7) | 0.13634 (4) | 0.0517 (3) | |
| O1 | 0.2503 (4) | 0.7985 (4) | 0.2037 (2) | 0.0875 (17) | |
| H1C | 0.2344 | 0.8634 | 0.2107 | 0.105* | |
| H1D | 0.2314 | 0.7597 | 0.2361 | 0.105* | |
| P1 | 0.50924 (12) | 0.81613 (14) | 0.18770 (8) | 0.0460 (4) | |
| P2 | 0.29834 (12) | 0.72605 (14) | 0.03854 (8) | 0.0464 (4) | |
| C1 | 0.6043 (4) | 0.8457 (5) | 0.1314 (3) | 0.0463 (15) | |
| C2 | 0.5854 (5) | 0.9201 (6) | 0.0780 (3) | 0.0606 (19) | |
| H2 | 0.5247 | 0.9510 | 0.0715 | 0.073* | |
| C3 | 0.6543 (6) | 0.9483 (6) | 0.0352 (4) | 0.069 (2) | |
| H3 | 0.6399 | 0.9972 | −0.0003 | 0.082* | |
| C4 | 0.7436 (6) | 0.9051 (6) | 0.0442 (4) | 0.067 (2) | |
| H4 | 0.7902 | 0.9242 | 0.0149 | 0.081* | |
| C5 | 0.7649 (5) | 0.8330 (6) | 0.0971 (4) | 0.068 (2) | |
| H5 | 0.8265 | 0.8044 | 0.1038 | 0.082* | |
| C6 | 0.6956 (5) | 0.8025 (6) | 0.1404 (3) | 0.0583 (18) | |
| H6 | 0.7105 | 0.7530 | 0.1756 | 0.070* | |
| C7 | 0.5344 (5) | 0.9112 (5) | 0.2578 (3) | 0.0512 (17) | |
| C8 | 0.6274 (5) | 0.9386 (6) | 0.2829 (3) | 0.0610 (19) | |
| H8 | 0.6793 | 0.9041 | 0.2652 | 0.073* | |
| C9 | 0.6440 (6) | 1.0154 (6) | 0.3332 (4) | 0.070 (2) | |
| H9 | 0.7066 | 1.0337 | 0.3487 | 0.084* | |
| C10 | 0.5692 (7) | 1.0643 (7) | 0.3602 (4) | 0.077 (2) | |
| H10 | 0.5807 | 1.1151 | 0.3950 | 0.092* | |
| C11 | 0.4772 (6) | 1.0403 (7) | 0.3370 (4) | 0.083 (3) | |
| H11 | 0.4262 | 1.0753 | 0.3554 | 0.100* | |
| C12 | 0.4599 (5) | 0.9630 (6) | 0.2857 (3) | 0.067 (2) | |
| H12 | 0.3970 | 0.9462 | 0.2702 | 0.080* | |
| C13 | 0.5397 (5) | 0.6851 (5) | 0.2224 (3) | 0.0527 (17) | |
| C14 | 0.5584 (6) | 0.6645 (6) | 0.2916 (4) | 0.077 (2) | |
| H14 | 0.5589 | 0.7206 | 0.3234 | 0.092* | |
| C15 | 0.5764 (7) | 0.5595 (8) | 0.3144 (5) | 0.105 (3) | |
| H15 | 0.5880 | 0.5459 | 0.3614 | 0.126* | |
| C16 | 0.5774 (8) | 0.4772 (8) | 0.2688 (5) | 0.106 (3) | |
| H16 | 0.5910 | 0.4078 | 0.2845 | 0.127* | |
| C17 | 0.5585 (7) | 0.4957 (7) | 0.2005 (5) | 0.094 (3) | |
| H17 | 0.5586 | 0.4392 | 0.1691 | 0.113* | |
| C18 | 0.5394 (6) | 0.5986 (6) | 0.1781 (4) | 0.075 (2) | |
| H18 | 0.5257 | 0.6105 | 0.1311 | 0.090* | |
| C19 | 0.3094 (4) | 0.5817 (5) | 0.0445 (3) | 0.0479 (16) | |
| C20 | 0.2846 (5) | 0.5319 (6) | 0.1046 (4) | 0.067 (2) | |
| H20 | 0.2710 | 0.5738 | 0.1422 | 0.080* | |
| C21 | 0.2797 (6) | 0.4224 (7) | 0.1093 (4) | 0.077 (2) | |
| H21 | 0.2616 | 0.3908 | 0.1496 | 0.092* | |
| C22 | 0.3010 (6) | 0.3593 (7) | 0.0560 (4) | 0.077 (2) | |
| H22 | 0.2961 | 0.2849 | 0.0593 | 0.092* | |
| C23 | 0.3296 (6) | 0.4054 (7) | −0.0029 (4) | 0.081 (2) | |
| H23 | 0.3467 | 0.3624 | −0.0392 | 0.097* | |
| C24 | 0.3332 (5) | 0.5159 (6) | −0.0084 (4) | 0.066 (2) | |
| H24 | 0.3521 | 0.5466 | −0.0488 | 0.080* | |
| C25 | 0.1693 (5) | 0.7425 (6) | 0.0208 (3) | 0.0487 (16) | |
| C26 | 0.1270 (5) | 0.8370 (6) | 0.0406 (4) | 0.070 (2) | |
| H26 | 0.1638 | 0.8891 | 0.0645 | 0.084* | |
| C27 | 0.0280 (6) | 0.8544 (8) | 0.0245 (4) | 0.083 (3) | |
| H27 | −0.0007 | 0.9177 | 0.0380 | 0.099* | |
| C28 | −0.0256 (6) | 0.7771 (8) | −0.0113 (4) | 0.079 (2) | |
| H28 | −0.0904 | 0.7894 | −0.0235 | 0.095* | |
| C29 | 0.0150 (5) | 0.6832 (7) | −0.0291 (4) | 0.073 (2) | |
| H29 | −0.0223 | 0.6302 | −0.0520 | 0.088* | |
| C30 | 0.1115 (5) | 0.6663 (6) | −0.0133 (3) | 0.0610 (19) | |
| H30 | 0.1386 | 0.6016 | −0.0259 | 0.073* | |
| C31 | 0.3468 (5) | 0.7605 (5) | −0.0425 (3) | 0.0512 (17) | |
| C32 | 0.4439 (5) | 0.7700 (6) | −0.0454 (4) | 0.065 (2) | |
| H32 | 0.4840 | 0.7570 | −0.0057 | 0.078* | |
| C33 | 0.4846 (6) | 0.7984 (6) | −0.1059 (4) | 0.074 (2) | |
| H33 | 0.5509 | 0.8030 | −0.1069 | 0.089* | |
| C34 | 0.4255 (6) | 0.8195 (7) | −0.1639 (4) | 0.076 (2) | |
| H34 | 0.4519 | 0.8389 | −0.2046 | 0.091* | |
| C35 | 0.3292 (6) | 0.8125 (7) | −0.1625 (4) | 0.080 (2) | |
| H35 | 0.2896 | 0.8278 | −0.2021 | 0.096* | |
| C36 | 0.2894 (5) | 0.7826 (6) | −0.1026 (3) | 0.067 (2) | |
| H36 | 0.2231 | 0.7771 | −0.1023 | 0.080* | |
| B1 | 0.2480 (10) | 1.0703 (10) | 0.1638 (6) | 0.086 (3) | |
| F1 | 0.3118 (4) | 1.0059 (4) | 0.1338 (2) | 0.0998 (15) | |
| F2 | 0.206 (2) | 1.010 (2) | 0.2129 (18) | 0.108 (7) | 0.67 (6) |
| F3 | 0.3076 (17) | 1.150 (2) | 0.1979 (18) | 0.134 (9) | 0.67 (6) |
| F4 | 0.188 (2) | 1.115 (3) | 0.1190 (10) | 0.134 (10) | 0.67 (6) |
| F2' | 0.258 (5) | 1.174 (2) | 0.162 (3) | 0.138 (17) | 0.33 (6) |
| F3' | 0.155 (3) | 1.054 (5) | 0.123 (3) | 0.125 (15) | 0.33 (6) |
| F4' | 0.232 (5) | 1.050 (6) | 0.228 (2) | 0.110 (15) | 0.33 (6) |
| Cu1 | 0.0530 (5) | 0.0605 (6) | 0.0401 (5) | 0.0008 (4) | −0.0054 (3) | −0.0045 (4) |
| O1 | 0.121 (4) | 0.076 (4) | 0.069 (3) | −0.003 (3) | 0.034 (3) | 0.015 (3) |
| P1 | 0.0515 (10) | 0.0508 (11) | 0.0342 (9) | 0.0055 (9) | −0.0063 (7) | −0.0053 (8) |
| P2 | 0.0489 (10) | 0.0510 (11) | 0.0378 (9) | 0.0044 (8) | −0.0063 (7) | −0.0019 (8) |
| C1 | 0.053 (4) | 0.044 (4) | 0.040 (4) | −0.001 (3) | −0.005 (3) | −0.009 (3) |
| C2 | 0.068 (5) | 0.055 (5) | 0.058 (4) | 0.013 (4) | −0.003 (4) | 0.000 (4) |
| C3 | 0.085 (6) | 0.058 (5) | 0.062 (5) | −0.002 (5) | 0.004 (4) | 0.008 (4) |
| C4 | 0.082 (6) | 0.059 (5) | 0.063 (5) | −0.002 (4) | 0.016 (4) | −0.004 (4) |
| C5 | 0.062 (5) | 0.075 (6) | 0.069 (5) | 0.012 (4) | 0.009 (4) | −0.012 (4) |
| C6 | 0.066 (5) | 0.059 (5) | 0.050 (4) | 0.010 (4) | 0.000 (4) | 0.003 (3) |
| C7 | 0.063 (4) | 0.052 (4) | 0.037 (4) | 0.004 (4) | −0.005 (3) | −0.007 (3) |
| C8 | 0.067 (5) | 0.067 (5) | 0.048 (4) | 0.001 (4) | −0.008 (3) | −0.011 (4) |
| C9 | 0.080 (5) | 0.072 (6) | 0.056 (5) | −0.007 (5) | −0.010 (4) | −0.012 (4) |
| C10 | 0.110 (7) | 0.069 (6) | 0.050 (5) | −0.006 (5) | 0.002 (5) | −0.019 (4) |
| C11 | 0.089 (6) | 0.089 (7) | 0.074 (6) | 0.004 (5) | 0.022 (5) | −0.032 (5) |
| C12 | 0.070 (5) | 0.075 (5) | 0.055 (4) | 0.002 (4) | 0.002 (4) | −0.020 (4) |
| C13 | 0.059 (4) | 0.055 (5) | 0.042 (4) | −0.001 (4) | −0.006 (3) | −0.002 (3) |
| C14 | 0.108 (6) | 0.060 (5) | 0.058 (5) | −0.002 (5) | −0.016 (4) | 0.003 (4) |
| C15 | 0.161 (10) | 0.080 (7) | 0.068 (6) | 0.000 (7) | −0.028 (6) | 0.024 (5) |
| C16 | 0.153 (9) | 0.062 (6) | 0.097 (8) | 0.014 (6) | −0.023 (7) | 0.016 (6) |
| C17 | 0.136 (8) | 0.060 (6) | 0.085 (7) | 0.013 (6) | −0.007 (6) | −0.004 (5) |
| C18 | 0.105 (6) | 0.059 (5) | 0.059 (5) | 0.016 (5) | −0.004 (4) | 0.002 (4) |
| C19 | 0.050 (4) | 0.053 (4) | 0.040 (4) | 0.006 (3) | −0.001 (3) | 0.000 (3) |
| C20 | 0.088 (6) | 0.057 (5) | 0.057 (5) | 0.009 (4) | 0.014 (4) | 0.000 (4) |
| C21 | 0.099 (6) | 0.064 (6) | 0.069 (5) | 0.007 (5) | 0.016 (5) | 0.011 (4) |
| C22 | 0.096 (6) | 0.054 (5) | 0.080 (6) | 0.010 (5) | 0.002 (5) | 0.004 (5) |
| C23 | 0.107 (7) | 0.062 (6) | 0.073 (6) | 0.014 (5) | 0.013 (5) | −0.010 (4) |
| C24 | 0.084 (5) | 0.060 (5) | 0.056 (5) | 0.011 (4) | 0.009 (4) | 0.001 (4) |
| C25 | 0.052 (4) | 0.054 (4) | 0.040 (4) | 0.013 (3) | 0.002 (3) | 0.004 (3) |
| C26 | 0.070 (5) | 0.066 (5) | 0.072 (5) | 0.013 (4) | −0.001 (4) | 0.000 (4) |
| C27 | 0.077 (6) | 0.082 (6) | 0.091 (6) | 0.035 (5) | 0.014 (5) | 0.012 (5) |
| C28 | 0.060 (5) | 0.106 (8) | 0.071 (6) | 0.017 (5) | −0.004 (4) | 0.009 (5) |
| C29 | 0.052 (4) | 0.102 (7) | 0.063 (5) | 0.002 (5) | −0.007 (4) | −0.007 (5) |
| C30 | 0.054 (4) | 0.074 (5) | 0.053 (4) | 0.009 (4) | −0.006 (3) | −0.007 (4) |
| C31 | 0.057 (4) | 0.054 (4) | 0.042 (4) | 0.000 (3) | −0.002 (3) | 0.002 (3) |
| C32 | 0.063 (5) | 0.075 (5) | 0.056 (5) | 0.003 (4) | 0.002 (4) | 0.009 (4) |
| C33 | 0.067 (5) | 0.081 (6) | 0.075 (5) | 0.004 (4) | 0.019 (4) | 0.013 (5) |
| C34 | 0.091 (6) | 0.081 (6) | 0.058 (5) | −0.002 (5) | 0.018 (5) | 0.008 (4) |
| C35 | 0.088 (6) | 0.099 (7) | 0.051 (5) | −0.011 (5) | −0.005 (4) | 0.018 (4) |
| C36 | 0.063 (5) | 0.086 (6) | 0.050 (4) | −0.009 (4) | −0.001 (4) | 0.012 (4) |
| B1 | 0.123 (10) | 0.058 (8) | 0.075 (8) | 0.007 (8) | 0.003 (8) | 0.002 (6) |
| F1 | 0.111 (4) | 0.107 (4) | 0.085 (3) | 0.013 (3) | 0.026 (3) | 0.007 (3) |
| F2 | 0.131 (14) | 0.094 (13) | 0.108 (16) | 0.015 (9) | 0.058 (12) | 0.023 (9) |
| F3 | 0.134 (12) | 0.113 (11) | 0.151 (18) | −0.001 (10) | −0.009 (11) | −0.046 (11) |
| F4 | 0.139 (14) | 0.14 (2) | 0.119 (9) | 0.048 (15) | −0.014 (9) | 0.047 (13) |
| F2' | 0.18 (4) | 0.097 (19) | 0.14 (3) | −0.014 (19) | −0.01 (3) | 0.015 (17) |
| F3' | 0.14 (2) | 0.10 (3) | 0.13 (2) | 0.02 (2) | −0.016 (18) | −0.024 (19) |
| F4' | 0.15 (3) | 0.12 (4) | 0.060 (15) | 0.02 (3) | 0.013 (16) | 0.013 (18) |
| Cu1—O1 | 2.105 (5) | C17—H17 | 0.9300 |
| Cu1—P1 | 2.2318 (18) | C18—H18 | 0.9300 |
| Cu1—P2 | 2.2478 (18) | C19—C24 | 1.375 (9) |
| O1—H1C | 0.8500 | C19—C20 | 1.389 (9) |
| O1—H1D | 0.8500 | C20—C21 | 1.366 (10) |
| P1—C13 | 1.800 (7) | C20—H20 | 0.9300 |
| P1—C7 | 1.816 (6) | C21—C22 | 1.349 (10) |
| P1—C1 | 1.823 (6) | C21—H21 | 0.9300 |
| P2—C19 | 1.803 (7) | C22—C23 | 1.368 (10) |
| P2—C31 | 1.814 (6) | C22—H22 | 0.9300 |
| P2—C25 | 1.820 (6) | C23—C24 | 1.377 (10) |
| C1—C6 | 1.383 (8) | C23—H23 | 0.9300 |
| C1—C2 | 1.400 (9) | C24—H24 | 0.9300 |
| C2—C3 | 1.366 (9) | C25—C30 | 1.380 (9) |
| C2—H2 | 0.9300 | C25—C26 | 1.382 (9) |
| C3—C4 | 1.357 (10) | C26—C27 | 1.410 (10) |
| C3—H3 | 0.9300 | C26—H26 | 0.9300 |
| C4—C5 | 1.378 (10) | C27—C28 | 1.373 (11) |
| C4—H4 | 0.9300 | C27—H27 | 0.9300 |
| C5—C6 | 1.385 (9) | C28—C29 | 1.355 (11) |
| C5—H5 | 0.9300 | C28—H28 | 0.9300 |
| C6—H6 | 0.9300 | C29—C30 | 1.375 (9) |
| C7—C12 | 1.373 (9) | C29—H29 | 0.9300 |
| C7—C8 | 1.394 (9) | C30—H30 | 0.9300 |
| C8—C9 | 1.374 (9) | C31—C32 | 1.367 (9) |
| C8—H8 | 0.9300 | C31—C36 | 1.390 (9) |
| C9—C10 | 1.350 (10) | C32—C33 | 1.391 (9) |
| C9—H9 | 0.9300 | C32—H32 | 0.9300 |
| C10—C11 | 1.362 (10) | C33—C34 | 1.369 (10) |
| C10—H10 | 0.9300 | C33—H33 | 0.9300 |
| C11—C12 | 1.391 (10) | C34—C35 | 1.351 (10) |
| C11—H11 | 0.9300 | C34—H34 | 0.9300 |
| C12—H12 | 0.9300 | C35—C36 | 1.381 (9) |
| C13—C14 | 1.374 (9) | C35—H35 | 0.9300 |
| C13—C18 | 1.377 (9) | C36—H36 | 0.9300 |
| C14—C15 | 1.393 (11) | B1—F4 | 1.285 (19) |
| C14—H14 | 0.9300 | B1—F2' | 1.30 (3) |
| C15—C16 | 1.354 (12) | B1—F4' | 1.31 (5) |
| C15—H15 | 0.9300 | B1—F1 | 1.363 (12) |
| C16—C17 | 1.352 (11) | B1—F2 | 1.38 (3) |
| C16—H16 | 0.9300 | B1—F3 | 1.42 (2) |
| C17—C18 | 1.370 (10) | B1—F3' | 1.48 (4) |
| O1—Cu1—P1 | 115.18 (16) | C17—C18—C13 | 122.6 (7) |
| O1—Cu1—P2 | 104.80 (16) | C17—C18—H18 | 118.7 |
| P1—Cu1—P2 | 133.89 (7) | C13—C18—H18 | 118.7 |
| Cu1—O1—H1C | 106.5 | C24—C19—C20 | 117.0 (7) |
| Cu1—O1—H1D | 139.8 | C24—C19—P2 | 124.6 (5) |
| H1C—O1—H1D | 108.6 | C20—C19—P2 | 118.1 (5) |
| C13—P1—C7 | 106.4 (3) | C21—C20—C19 | 121.1 (7) |
| C13—P1—C1 | 104.2 (3) | C21—C20—H20 | 119.4 |
| C7—P1—C1 | 102.2 (3) | C19—C20—H20 | 119.4 |
| C13—P1—Cu1 | 106.8 (2) | C22—C21—C20 | 120.8 (8) |
| C7—P1—Cu1 | 119.8 (2) | C22—C21—H21 | 119.6 |
| C1—P1—Cu1 | 116.1 (2) | C20—C21—H21 | 119.6 |
| C19—P2—C31 | 104.8 (3) | C21—C22—C23 | 119.7 (8) |
| C19—P2—C25 | 101.7 (3) | C21—C22—H22 | 120.2 |
| C31—P2—C25 | 103.9 (3) | C23—C22—H22 | 120.2 |
| C19—P2—Cu1 | 110.4 (2) | C22—C23—C24 | 119.8 (8) |
| C31—P2—Cu1 | 119.0 (2) | C22—C23—H23 | 120.1 |
| C25—P2—Cu1 | 115.2 (2) | C24—C23—H23 | 120.1 |
| C6—C1—C2 | 118.0 (6) | C19—C24—C23 | 121.5 (7) |
| C6—C1—P1 | 123.7 (5) | C19—C24—H24 | 119.2 |
| C2—C1—P1 | 118.3 (5) | C23—C24—H24 | 119.2 |
| C3—C2—C1 | 121.3 (7) | C30—C25—C26 | 118.0 (6) |
| C3—C2—H2 | 119.4 | C30—C25—P2 | 123.2 (5) |
| C1—C2—H2 | 119.4 | C26—C25—P2 | 118.8 (6) |
| C4—C3—C2 | 120.3 (7) | C25—C26—C27 | 120.2 (8) |
| C4—C3—H3 | 119.8 | C25—C26—H26 | 119.9 |
| C2—C3—H3 | 119.8 | C27—C26—H26 | 119.9 |
| C3—C4—C5 | 119.8 (7) | C28—C27—C26 | 119.4 (8) |
| C3—C4—H4 | 120.1 | C28—C27—H27 | 120.3 |
| C5—C4—H4 | 120.1 | C26—C27—H27 | 120.3 |
| C4—C5—C6 | 120.7 (7) | C29—C28—C27 | 120.6 (8) |
| C4—C5—H5 | 119.7 | C29—C28—H28 | 119.7 |
| C6—C5—H5 | 119.7 | C27—C28—H28 | 119.7 |
| C1—C6—C5 | 119.9 (6) | C28—C29—C30 | 119.8 (8) |
| C1—C6—H6 | 120.0 | C28—C29—H29 | 120.1 |
| C5—C6—H6 | 120.0 | C30—C29—H29 | 120.1 |
| C12—C7—C8 | 117.6 (6) | C29—C30—C25 | 121.9 (7) |
| C12—C7—P1 | 119.6 (5) | C29—C30—H30 | 119.0 |
| C8—C7—P1 | 122.8 (5) | C25—C30—H30 | 119.0 |
| C9—C8—C7 | 121.3 (7) | C32—C31—C36 | 117.2 (6) |
| C9—C8—H8 | 119.4 | C32—C31—P2 | 119.7 (5) |
| C7—C8—H8 | 119.4 | C36—C31—P2 | 123.0 (5) |
| C10—C9—C8 | 119.8 (7) | C31—C32—C33 | 122.0 (7) |
| C10—C9—H9 | 120.1 | C31—C32—H32 | 119.0 |
| C8—C9—H9 | 120.1 | C33—C32—H32 | 119.0 |
| C9—C10—C11 | 120.9 (7) | C34—C33—C32 | 118.9 (7) |
| C9—C10—H10 | 119.6 | C34—C33—H33 | 120.5 |
| C11—C10—H10 | 119.6 | C32—C33—H33 | 120.5 |
| C10—C11—C12 | 119.6 (7) | C35—C34—C33 | 120.6 (7) |
| C10—C11—H11 | 120.2 | C35—C34—H34 | 119.7 |
| C12—C11—H11 | 120.2 | C33—C34—H34 | 119.7 |
| C7—C12—C11 | 120.8 (7) | C34—C35—C36 | 120.1 (7) |
| C7—C12—H12 | 119.6 | C34—C35—H35 | 120.0 |
| C11—C12—H12 | 119.6 | C36—C35—H35 | 120.0 |
| C14—C13—C18 | 117.2 (7) | C35—C36—C31 | 121.2 (7) |
| C14—C13—P1 | 123.8 (6) | C35—C36—H36 | 119.4 |
| C18—C13—P1 | 118.9 (5) | C31—C36—H36 | 119.4 |
| C13—C14—C15 | 120.0 (8) | F4—B1—F1 | 112.3 (13) |
| C13—C14—H14 | 120.0 | F4—B1—F2 | 114.1 (18) |
| C15—C14—H14 | 120.0 | F1—B1—F2 | 107.7 (14) |
| C16—C15—C14 | 120.7 (8) | F4—B1—F3 | 110.3 (14) |
| C16—C15—H15 | 119.6 | F1—B1—F3 | 103.1 (12) |
| C14—C15—H15 | 119.6 | F2—B1—F3 | 108.8 (13) |
| C17—C16—C15 | 120.2 (9) | F2'—B1—F4' | 104 (3) |
| C17—C16—H16 | 119.9 | F2'—B1—F3' | 103 (2) |
| C15—C16—H16 | 119.9 | F4'—B1—F3' | 106 (3) |
| C16—C17—C18 | 119.2 (8) | F1—B1—F3' | 105.6 (16) |
| C16—C17—H17 | 120.4 | F2'—B1—F1 | 120 (2) |
| C18—C17—H17 | 120.4 | F4'—B1—F1 | 117 (3) |
| O1—Cu1—P1—C13 | 75.2 (3) | C13—C14—C15—C16 | 1.1 (15) |
| P2—Cu1—P1—C13 | −72.4 (2) | C14—C15—C16—C17 | −1.5 (17) |
| O1—Cu1—P1—C7 | −45.7 (3) | C15—C16—C17—C18 | 0.6 (17) |
| P2—Cu1—P1—C7 | 166.8 (2) | C16—C17—C18—C13 | 0.8 (15) |
| O1—Cu1—P1—C1 | −169.2 (3) | C14—C13—C18—C17 | −1.3 (12) |
| P2—Cu1—P1—C1 | 43.3 (3) | P1—C13—C18—C17 | −177.8 (7) |
| O1—Cu1—P2—C19 | −83.8 (3) | C31—P2—C19—C24 | −10.6 (7) |
| P1—Cu1—P2—C19 | 66.0 (2) | C25—P2—C19—C24 | 97.4 (6) |
| O1—Cu1—P2—C31 | 155.1 (3) | Cu1—P2—C19—C24 | −139.8 (5) |
| P1—Cu1—P2—C31 | −55.1 (3) | C31—P2—C19—C20 | 175.1 (5) |
| O1—Cu1—P2—C25 | 30.6 (3) | C25—P2—C19—C20 | −76.9 (6) |
| P1—Cu1—P2—C25 | −179.5 (2) | Cu1—P2—C19—C20 | 45.8 (6) |
| C13—P1—C1—C6 | −26.4 (6) | C24—C19—C20—C21 | −3.0 (11) |
| C7—P1—C1—C6 | 84.2 (6) | P2—C19—C20—C21 | 171.7 (6) |
| Cu1—P1—C1—C6 | −143.5 (5) | C19—C20—C21—C22 | 1.4 (13) |
| C13—P1—C1—C2 | 156.7 (5) | C20—C21—C22—C23 | 1.4 (13) |
| C7—P1—C1—C2 | −92.7 (5) | C21—C22—C23—C24 | −2.4 (13) |
| Cu1—P1—C1—C2 | 39.6 (6) | C20—C19—C24—C23 | 2.0 (11) |
| C6—C1—C2—C3 | 1.0 (10) | P2—C19—C24—C23 | −172.4 (6) |
| P1—C1—C2—C3 | 178.1 (6) | C22—C23—C24—C19 | 0.7 (12) |
| C1—C2—C3—C4 | −0.8 (11) | C19—P2—C25—C30 | −28.7 (6) |
| C2—C3—C4—C5 | −0.3 (12) | C31—P2—C25—C30 | 80.0 (6) |
| C3—C4—C5—C6 | 1.1 (11) | Cu1—P2—C25—C30 | −148.0 (5) |
| C2—C1—C6—C5 | −0.2 (10) | C19—P2—C25—C26 | 153.1 (5) |
| P1—C1—C6—C5 | −177.1 (5) | C31—P2—C25—C26 | −98.3 (6) |
| C4—C5—C6—C1 | −0.8 (11) | Cu1—P2—C25—C26 | 33.7 (6) |
| C13—P1—C7—C12 | −111.1 (6) | C30—C25—C26—C27 | −1.5 (10) |
| C1—P1—C7—C12 | 139.9 (6) | P2—C25—C26—C27 | 176.8 (6) |
| Cu1—P1—C7—C12 | 10.0 (7) | C25—C26—C27—C28 | −0.4 (12) |
| C13—P1—C7—C8 | 72.0 (6) | C26—C27—C28—C29 | 2.3 (13) |
| C1—P1—C7—C8 | −37.0 (6) | C27—C28—C29—C30 | −2.2 (12) |
| Cu1—P1—C7—C8 | −166.9 (5) | C28—C29—C30—C25 | 0.2 (11) |
| C12—C7—C8—C9 | −0.7 (10) | C26—C25—C30—C29 | 1.6 (10) |
| P1—C7—C8—C9 | 176.2 (6) | P2—C25—C30—C29 | −176.6 (5) |
| C7—C8—C9—C10 | 1.3 (11) | C19—P2—C31—C32 | −81.9 (6) |
| C8—C9—C10—C11 | −1.5 (13) | C25—P2—C31—C32 | 171.8 (6) |
| C9—C10—C11—C12 | 1.1 (13) | Cu1—P2—C31—C32 | 42.0 (7) |
| C8—C7—C12—C11 | 0.3 (11) | C19—P2—C31—C36 | 100.8 (6) |
| P1—C7—C12—C11 | −176.7 (6) | C25—P2—C31—C36 | −5.5 (7) |
| C10—C11—C12—C7 | −0.5 (13) | Cu1—P2—C31—C36 | −135.3 (6) |
| C7—P1—C13—C14 | 12.0 (7) | C36—C31—C32—C33 | −1.2 (11) |
| C1—P1—C13—C14 | 119.6 (6) | P2—C31—C32—C33 | −178.7 (6) |
| Cu1—P1—C13—C14 | −117.1 (6) | C31—C32—C33—C34 | 1.3 (12) |
| C7—P1—C13—C18 | −171.7 (6) | C32—C33—C34—C35 | −0.3 (13) |
| C1—P1—C13—C18 | −64.2 (6) | C33—C34—C35—C36 | −0.7 (13) |
| Cu1—P1—C13—C18 | 59.2 (6) | C34—C35—C36—C31 | 0.8 (13) |
| C18—C13—C14—C15 | 0.3 (12) | C32—C31—C36—C35 | 0.1 (11) |
| P1—C13—C14—C15 | 176.6 (7) | P2—C31—C36—C35 | 177.5 (6) |
| H··· | ||||
| O1—H1C···F2 | 0.85 | 1.87 | 2.71 (3) | 171 |
| O1—H1D···F3i | 0.85 | 1.98 | 2.82 (3) | 171 |
| C28—H28···F4ii | 0.93 | 2.51 | 3.25 (3) | 137 |
Selected bond lengths (Å)
| Cu1—O1 | 2.105 (5) |
| Cu1—P1 | 2.2318 (18) |
| Cu1—P2 | 2.2478 (18) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1—H1 | 0.85 | 1.87 | 2.71 (3) | 171 |
| O1—H1 | 0.85 | 1.98 | 2.82 (3) | 171 |
| C28—H28⋯F4ii | 0.93 | 2.51 | 3.25 (3) | 137 |
Symmetry codes: (i) ; (ii) .