| Literature DB >> 21583749 |
Peter C Healy1, Bradley T Loughrey, Michael L Williams.
Abstract
In the title compound [Cu(C(26)H(22)P(2))(2)]BF(4)·C(2)H(5)OH, a disordered ethanol solvate molecule and the anions are located in well defined channels along the c axis. The four-coordinate Cu(P-P)(2) core of the cation adopts approximately D(2) point group symmetry with the Cu-P bond lengths spanning a narrow range from 2.272 (1) to 2.285 (1) Å.Entities:
Year: 2009 PMID: 21583749 PMCID: PMC2977563 DOI: 10.1107/S1600536809012707
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu(C26H22P2)2]BF4·C2H6O | |
| Orthorhombic, | Mo |
| Hall symbol: P 2ac 2ab | Cell parameters from 8876 reflections |
| θ = 2.9–25.0° | |
| µ = 0.63 mm−1 | |
| Prism, colorless | |
| 0.32 × 0.32 × 0.25 mm |
| Oxford Diffraction GEMINI S Ultra diffractometer | 8649 independent reflections |
| Radiation source: Enhance (Mo) X-ray Source | 7257 reflections with |
| graphite | |
| Detector resolution: 16.0774 pixels mm-1 | θmax = 25.1°, θmin = 3.0° |
| ω and φ scans | |
| Absorption correction: multi-scan ( | |
| 18204 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| (Δ/σ)max = 0.001 | |
| 8649 reflections | Δρmax = 0.60 e Å−3 |
| 580 parameters | Δρmin = −0.32 e Å−3 |
| 0 restraints | Absolute structure: Flack (1983), 3798 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: −0.003 (12) |
| Geometry. Bond distances, angles |
| Refinement. Refinement on |
| Occ. (<1) | |||||
| Cu | 0.81847 (3) | 0.00134 (2) | 0.36373 (2) | 0.0308 (1) | |
| P1 | 0.69652 (6) | 0.09021 (6) | 0.37345 (4) | 0.0349 (3) | |
| P2 | 0.71346 (6) | −0.10238 (6) | 0.36133 (4) | 0.0343 (3) | |
| P3 | 0.92358 (6) | 0.04648 (5) | 0.28923 (4) | 0.0306 (3) | |
| P4 | 0.94056 (6) | −0.02611 (5) | 0.43175 (4) | 0.0313 (3) | |
| C111 | 0.6711 (3) | 0.1520 (3) | 0.30246 (16) | 0.0448 (13) | |
| C112 | 0.6509 (3) | 0.1130 (3) | 0.2451 (2) | 0.0700 (18) | |
| C113 | 0.6366 (4) | 0.1602 (5) | 0.1899 (2) | 0.092 (3) | |
| C114 | 0.6426 (4) | 0.2416 (5) | 0.1922 (3) | 0.091 (3) | |
| C115 | 0.6611 (4) | 0.2795 (4) | 0.2482 (3) | 0.0820 (19) | |
| C116 | 0.6764 (3) | 0.2352 (3) | 0.30327 (17) | 0.0550 (16) | |
| C121 | 0.6800 (3) | 0.1617 (2) | 0.43856 (15) | 0.0399 (11) | |
| C122 | 0.7587 (4) | 0.1953 (3) | 0.4664 (2) | 0.0647 (17) | |
| C123 | 0.7491 (4) | 0.2558 (4) | 0.5120 (3) | 0.081 (2) | |
| C124 | 0.6629 (5) | 0.2784 (3) | 0.53131 (19) | 0.079 (2) | |
| C125 | 0.5843 (4) | 0.2465 (3) | 0.5055 (2) | 0.0690 (19) | |
| C126 | 0.5919 (3) | 0.1870 (3) | 0.45849 (19) | 0.0520 (14) | |
| C131 | 0.5934 (3) | 0.0255 (3) | 0.3763 (2) | 0.0504 (15) | |
| C211 | 0.7110 (3) | −0.1674 (3) | 0.43170 (18) | 0.0477 (14) | |
| C212 | 0.7035 (3) | −0.1306 (3) | 0.4906 (2) | 0.0687 (18) | |
| C213 | 0.7052 (4) | −0.1750 (6) | 0.5461 (2) | 0.110 (3) | |
| C214 | 0.7143 (4) | −0.2562 (6) | 0.5434 (3) | 0.103 (3) | |
| C215 | 0.7229 (4) | −0.2954 (4) | 0.4854 (3) | 0.093 (3) | |
| C216 | 0.7217 (3) | −0.2493 (3) | 0.4287 (2) | 0.0627 (18) | |
| C221 | 0.7001 (3) | −0.1710 (2) | 0.29441 (15) | 0.0368 (11) | |
| C222 | 0.7789 (3) | −0.1921 (2) | 0.25936 (19) | 0.0493 (12) | |
| C223 | 0.7721 (4) | −0.2460 (3) | 0.2086 (2) | 0.0660 (19) | |
| C224 | 0.6864 (4) | −0.2789 (3) | 0.19210 (19) | 0.0650 (18) | |
| C225 | 0.6083 (4) | −0.2588 (3) | 0.2263 (2) | 0.0620 (17) | |
| C226 | 0.6143 (3) | −0.2052 (3) | 0.2770 (2) | 0.0527 (14) | |
| C231 | 0.5998 (3) | −0.0527 (3) | 0.3700 (2) | 0.0493 (14) | |
| C311 | 0.9274 (3) | 0.1571 (2) | 0.28494 (16) | 0.0360 (11) | |
| C312 | 0.9530 (4) | 0.2000 (2) | 0.33843 (19) | 0.0580 (14) | |
| C313 | 0.9482 (4) | 0.2831 (3) | 0.3383 (2) | 0.0773 (19) | |
| C314 | 0.9186 (4) | 0.3241 (3) | 0.2847 (2) | 0.0647 (16) | |
| C315 | 0.8954 (3) | 0.2820 (3) | 0.2316 (2) | 0.0553 (16) | |
| C316 | 0.8991 (3) | 0.1984 (2) | 0.23125 (17) | 0.0430 (12) | |
| C321 | 0.9378 (2) | 0.01646 (19) | 0.20539 (14) | 0.0334 (10) | |
| C322 | 0.8658 (3) | −0.0235 (2) | 0.17519 (17) | 0.0450 (12) | |
| C323 | 0.8760 (3) | −0.0481 (3) | 0.11160 (18) | 0.0547 (16) | |
| C324 | 0.9573 (3) | −0.0296 (2) | 0.07897 (17) | 0.0530 (14) | |
| C325 | 1.0295 (3) | 0.0097 (3) | 0.10925 (17) | 0.0513 (14) | |
| C326 | 1.0200 (3) | 0.0335 (2) | 0.17224 (16) | 0.0423 (11) | |
| C331 | 1.0380 (2) | 0.0223 (2) | 0.32486 (16) | 0.0387 (11) | |
| C411 | 0.9581 (2) | −0.1319 (2) | 0.45297 (17) | 0.0365 (11) | |
| C412 | 0.9580 (3) | −0.1879 (3) | 0.40355 (19) | 0.0517 (14) | |
| C413 | 0.9655 (4) | −0.2689 (3) | 0.4161 (3) | 0.0680 (19) | |
| C414 | 0.9729 (3) | −0.2951 (3) | 0.4785 (3) | 0.0687 (19) | |
| C415 | 0.9750 (3) | −0.2406 (3) | 0.5272 (2) | 0.0633 (17) | |
| C416 | 0.9684 (3) | −0.1592 (3) | 0.51499 (18) | 0.0500 (14) | |
| C421 | 0.9642 (3) | 0.0276 (2) | 0.50622 (15) | 0.0376 (11) | |
| C422 | 0.8886 (3) | 0.0501 (3) | 0.5431 (2) | 0.0600 (14) | |
| C423 | 0.9031 (4) | 0.0894 (4) | 0.6010 (2) | 0.075 (2) | |
| C424 | 0.9920 (4) | 0.1067 (3) | 0.62089 (19) | 0.0660 (18) | |
| C425 | 1.0681 (4) | 0.0827 (3) | 0.5849 (2) | 0.0670 (17) | |
| C426 | 1.0560 (3) | 0.0430 (3) | 0.52687 (18) | 0.0530 (14) | |
| C431 | 1.0445 (2) | −0.0075 (3) | 0.38339 (15) | 0.0394 (10) | |
| O1 | 0.2511 (4) | −0.0101 (5) | 0.2593 (3) | 0.149 (3) | |
| C1 | 0.3146 (9) | 0.0317 (7) | 0.2194 (5) | 0.166 (4)* | |
| C2 | 0.2957 (11) | 0.0668 (9) | 0.1717 (7) | 0.106 (4)* | 0.500 |
| C3 | 0.3925 (19) | 0.0228 (16) | 0.2408 (11) | 0.195 (9)* | 0.500 |
| F1 | 0.3819 (5) | −0.0475 (4) | 0.4200 (5) | 0.280 (5) | |
| F2 | 0.3857 (3) | 0.0782 (3) | 0.4354 (3) | 0.177 (3) | |
| F3 | 0.2782 (4) | −0.0018 (4) | 0.4846 (3) | 0.180 (3) | |
| F4 | 0.2657 (4) | 0.0418 (4) | 0.3960 (3) | 0.194 (3) | |
| B | 0.3308 (3) | 0.0080 (6) | 0.4313 (4) | 0.108 (3) | |
| H112 | 0.64680 | 0.05590 | 0.24330 | 0.0840* | |
| H113 | 0.62260 | 0.13440 | 0.15050 | 0.1100* | |
| H114 | 0.63370 | 0.27250 | 0.15440 | 0.1090* | |
| H115 | 0.66370 | 0.33680 | 0.24970 | 0.0980* | |
| H116 | 0.69050 | 0.26220 | 0.34210 | 0.0660* | |
| H122 | 0.81990 | 0.17710 | 0.45450 | 0.0780* | |
| H123 | 0.80370 | 0.28100 | 0.52930 | 0.0970* | |
| H124 | 0.65720 | 0.31780 | 0.56400 | 0.0950* | |
| H125 | 0.52380 | 0.26440 | 0.51920 | 0.0830* | |
| H126 | 0.53660 | 0.16400 | 0.44030 | 0.0620* | |
| H131 | 0.53290 | 0.04910 | 0.38260 | 0.0600* | |
| H212 | 0.69720 | −0.07360 | 0.49290 | 0.0830* | |
| H213 | 0.70000 | −0.14870 | 0.58620 | 0.1320* | |
| H214 | 0.71490 | −0.28670 | 0.58180 | 0.1230* | |
| H215 | 0.72940 | −0.35240 | 0.48370 | 0.1110* | |
| H216 | 0.72840 | −0.27520 | 0.38840 | 0.0760* | |
| H222 | 0.83860 | −0.16950 | 0.27000 | 0.0590* | |
| H223 | 0.82710 | −0.26010 | 0.18510 | 0.0790* | |
| H224 | 0.68190 | −0.31530 | 0.15720 | 0.0780* | |
| H225 | 0.54890 | −0.28180 | 0.21540 | 0.0740* | |
| H226 | 0.55880 | −0.19160 | 0.30020 | 0.0630* | |
| H231 | 0.54380 | −0.08430 | 0.36980 | 0.0590* | |
| H312 | 0.97410 | 0.17230 | 0.37550 | 0.0700* | |
| H313 | 0.96530 | 0.31230 | 0.37560 | 0.0930* | |
| H314 | 0.91470 | 0.38140 | 0.28490 | 0.0780* | |
| H315 | 0.87630 | 0.31010 | 0.19430 | 0.0660* | |
| H316 | 0.88220 | 0.16950 | 0.19380 | 0.0520* | |
| H322 | 0.80880 | −0.03460 | 0.19740 | 0.0540* | |
| H323 | 0.82690 | −0.07730 | 0.09120 | 0.0660* | |
| H324 | 0.96340 | −0.04420 | 0.03530 | 0.0640* | |
| H325 | 1.08640 | 0.02080 | 0.08690 | 0.0620* | |
| H326 | 1.07000 | 0.06160 | 0.19280 | 0.0510* | |
| H331 | 1.09400 | 0.03130 | 0.30090 | 0.0460* | |
| H412 | 0.95260 | −0.16980 | 0.36070 | 0.0620* | |
| H413 | 0.96560 | −0.30690 | 0.38210 | 0.0810* | |
| H414 | 0.97660 | −0.35110 | 0.48750 | 0.0830* | |
| H415 | 0.98100 | −0.25900 | 0.56990 | 0.0760* | |
| H416 | 0.97090 | −0.12170 | 0.54920 | 0.0600* | |
| H422 | 0.82610 | 0.03880 | 0.52910 | 0.0720* | |
| H423 | 0.85050 | 0.10410 | 0.62660 | 0.0900* | |
| H424 | 1.00160 | 0.13540 | 0.65960 | 0.0790* | |
| H425 | 1.13020 | 0.09330 | 0.60000 | 0.0810* | |
| H426 | 1.10890 | 0.02690 | 0.50210 | 0.0630* | |
| H431 | 1.10510 | −0.01940 | 0.40040 | 0.0470* | |
| H1 | 0.25560 | 0.00560 | 0.29910 | 0.1610* | |
| H2 | 0.25760 | 0.11240 | 0.18180 | 0.1270* | 0.500 |
| H3 | 0.35220 | 0.08420 | 0.15160 | 0.1270* | 0.500 |
| H4 | 0.26190 | 0.03200 | 0.14400 | 0.1270* | 0.500 |
| H5 | 0.39020 | 0.01980 | 0.28570 | 0.2330* | 0.500 |
| H6 | 0.42000 | −0.02480 | 0.22380 | 0.2330* | 0.500 |
| H7 | 0.43090 | 0.06820 | 0.22860 | 0.2330* | 0.500 |
| H8 | 0.31070 | 0.01190 | 0.17710 | 0.1980* | 0.500 |
| H9 | 0.29950 | 0.08810 | 0.21940 | 0.1980* | 0.500 |
| H10 | 0.34180 | 0.07180 | 0.24620 | 0.1980* | 0.500 |
| H11 | 0.36040 | −0.00660 | 0.20770 | 0.1980* | 0.500 |
| Cu | 0.0238 (2) | 0.0345 (2) | 0.0341 (2) | 0.0010 (2) | 0.0012 (2) | −0.0039 (2) |
| P1 | 0.0287 (5) | 0.0403 (5) | 0.0356 (5) | 0.0067 (4) | 0.0004 (4) | −0.0073 (4) |
| P2 | 0.0292 (4) | 0.0369 (5) | 0.0368 (4) | −0.0038 (4) | 0.0044 (4) | −0.0044 (4) |
| P3 | 0.0292 (4) | 0.0324 (5) | 0.0302 (4) | −0.0011 (4) | 0.0001 (4) | −0.0004 (3) |
| P4 | 0.0258 (4) | 0.0373 (5) | 0.0309 (4) | 0.0031 (4) | 0.0008 (3) | −0.0004 (3) |
| C111 | 0.030 (2) | 0.073 (3) | 0.0313 (18) | 0.016 (2) | 0.0013 (16) | −0.0042 (17) |
| C112 | 0.052 (3) | 0.109 (4) | 0.049 (2) | 0.015 (3) | −0.012 (2) | −0.019 (3) |
| C113 | 0.069 (4) | 0.175 (7) | 0.033 (2) | 0.006 (4) | −0.006 (2) | −0.007 (3) |
| C114 | 0.063 (4) | 0.152 (6) | 0.059 (3) | 0.030 (4) | 0.010 (3) | 0.035 (4) |
| C115 | 0.066 (3) | 0.113 (4) | 0.067 (3) | 0.036 (3) | 0.021 (3) | 0.035 (3) |
| C116 | 0.059 (3) | 0.067 (3) | 0.039 (2) | 0.013 (2) | 0.0067 (19) | 0.0075 (18) |
| C121 | 0.052 (2) | 0.039 (2) | 0.0286 (17) | 0.0124 (19) | 0.0032 (18) | −0.0014 (14) |
| C122 | 0.067 (3) | 0.067 (3) | 0.060 (3) | 0.017 (3) | −0.011 (2) | −0.025 (2) |
| C123 | 0.087 (4) | 0.078 (4) | 0.078 (4) | 0.014 (3) | −0.021 (3) | −0.034 (3) |
| C124 | 0.136 (6) | 0.062 (3) | 0.040 (2) | 0.036 (4) | 0.002 (3) | −0.016 (2) |
| C125 | 0.087 (4) | 0.064 (3) | 0.056 (3) | 0.020 (3) | 0.025 (3) | −0.010 (2) |
| C126 | 0.063 (3) | 0.048 (2) | 0.045 (2) | 0.006 (2) | 0.013 (2) | −0.0021 (18) |
| C131 | 0.0241 (18) | 0.061 (3) | 0.066 (3) | 0.0063 (17) | 0.0036 (17) | −0.016 (2) |
| C211 | 0.029 (2) | 0.068 (3) | 0.046 (2) | −0.0127 (19) | 0.0020 (17) | 0.013 (2) |
| C212 | 0.051 (3) | 0.110 (4) | 0.045 (2) | −0.028 (3) | 0.006 (2) | 0.004 (2) |
| C213 | 0.078 (4) | 0.210 (9) | 0.041 (3) | −0.064 (5) | 0.003 (3) | 0.028 (4) |
| C214 | 0.049 (3) | 0.193 (8) | 0.066 (4) | −0.029 (4) | −0.004 (3) | 0.071 (5) |
| C215 | 0.045 (3) | 0.115 (5) | 0.119 (5) | 0.005 (3) | 0.007 (3) | 0.072 (4) |
| C216 | 0.045 (2) | 0.076 (4) | 0.067 (3) | −0.001 (2) | 0.009 (2) | 0.024 (2) |
| C221 | 0.045 (2) | 0.0310 (19) | 0.0344 (17) | −0.0031 (16) | 0.0002 (17) | 0.0037 (14) |
| C222 | 0.054 (2) | 0.046 (2) | 0.048 (2) | −0.006 (2) | 0.0079 (19) | −0.0105 (18) |
| C223 | 0.082 (4) | 0.063 (3) | 0.053 (3) | −0.003 (3) | 0.025 (2) | −0.011 (2) |
| C224 | 0.103 (4) | 0.047 (3) | 0.045 (2) | −0.014 (3) | −0.003 (3) | −0.0107 (18) |
| C225 | 0.074 (3) | 0.054 (3) | 0.058 (3) | −0.021 (2) | −0.013 (2) | −0.008 (2) |
| C226 | 0.051 (2) | 0.053 (3) | 0.054 (2) | −0.011 (2) | −0.003 (2) | −0.007 (2) |
| C231 | 0.034 (2) | 0.059 (3) | 0.055 (2) | −0.0118 (18) | 0.0073 (18) | −0.014 (2) |
| C311 | 0.0338 (19) | 0.0351 (19) | 0.0392 (19) | −0.0023 (16) | 0.0033 (16) | −0.0013 (15) |
| C312 | 0.082 (3) | 0.040 (2) | 0.052 (2) | −0.017 (2) | −0.016 (2) | −0.0042 (18) |
| C313 | 0.098 (4) | 0.054 (3) | 0.080 (3) | −0.018 (3) | −0.014 (3) | −0.023 (3) |
| C314 | 0.080 (3) | 0.036 (2) | 0.078 (3) | −0.008 (2) | 0.009 (3) | 0.002 (2) |
| C315 | 0.068 (3) | 0.037 (2) | 0.061 (3) | 0.000 (2) | 0.003 (2) | 0.004 (2) |
| C316 | 0.051 (2) | 0.032 (2) | 0.046 (2) | −0.0009 (17) | −0.0049 (17) | −0.0016 (16) |
| C321 | 0.0438 (19) | 0.0275 (19) | 0.0288 (16) | 0.0029 (16) | 0.0019 (15) | 0.0008 (13) |
| C322 | 0.048 (2) | 0.046 (2) | 0.041 (2) | −0.0019 (18) | −0.0024 (17) | −0.0011 (16) |
| C323 | 0.072 (3) | 0.051 (3) | 0.041 (2) | −0.001 (2) | −0.014 (2) | −0.0109 (19) |
| C324 | 0.080 (3) | 0.046 (2) | 0.033 (2) | 0.007 (2) | −0.001 (2) | −0.0043 (16) |
| C325 | 0.073 (3) | 0.040 (2) | 0.0410 (19) | 0.003 (2) | 0.0122 (19) | 0.0074 (17) |
| C326 | 0.051 (2) | 0.037 (2) | 0.0389 (19) | −0.0021 (17) | 0.0036 (16) | 0.0025 (16) |
| C331 | 0.0279 (18) | 0.049 (2) | 0.0391 (19) | 0.0044 (16) | 0.0049 (14) | −0.0003 (16) |
| C411 | 0.0272 (18) | 0.038 (2) | 0.0442 (19) | 0.0068 (15) | 0.0027 (15) | 0.0047 (15) |
| C412 | 0.048 (2) | 0.052 (3) | 0.055 (2) | 0.012 (2) | −0.0040 (19) | −0.0080 (19) |
| C413 | 0.068 (3) | 0.045 (3) | 0.091 (4) | 0.015 (2) | −0.011 (3) | −0.012 (2) |
| C414 | 0.049 (3) | 0.044 (3) | 0.113 (4) | 0.008 (2) | 0.022 (3) | 0.013 (3) |
| C415 | 0.060 (3) | 0.063 (3) | 0.067 (3) | 0.015 (2) | 0.020 (2) | 0.027 (2) |
| C416 | 0.056 (3) | 0.048 (2) | 0.046 (2) | 0.014 (2) | 0.0111 (19) | 0.0098 (18) |
| C421 | 0.038 (2) | 0.044 (2) | 0.0309 (17) | 0.0022 (16) | −0.0035 (14) | −0.0026 (14) |
| C422 | 0.045 (2) | 0.085 (3) | 0.050 (2) | 0.012 (2) | −0.0030 (18) | −0.025 (2) |
| C423 | 0.063 (3) | 0.110 (5) | 0.053 (3) | 0.015 (3) | −0.002 (2) | −0.027 (3) |
| C424 | 0.084 (4) | 0.069 (3) | 0.045 (2) | −0.003 (3) | −0.012 (2) | −0.019 (2) |
| C425 | 0.062 (3) | 0.079 (3) | 0.060 (3) | −0.017 (3) | −0.019 (2) | −0.010 (2) |
| C426 | 0.046 (2) | 0.066 (3) | 0.047 (2) | −0.005 (2) | −0.0038 (18) | −0.0040 (19) |
| C431 | 0.0237 (15) | 0.052 (2) | 0.0424 (18) | 0.0074 (18) | 0.0013 (13) | 0.0037 (17) |
| O1 | 0.113 (4) | 0.196 (6) | 0.139 (4) | −0.048 (4) | 0.033 (3) | −0.065 (4) |
| F1 | 0.168 (6) | 0.134 (4) | 0.537 (13) | 0.075 (4) | 0.217 (7) | 0.132 (6) |
| F2 | 0.084 (3) | 0.161 (5) | 0.286 (7) | −0.022 (3) | 0.072 (4) | −0.036 (5) |
| F3 | 0.145 (4) | 0.180 (5) | 0.215 (5) | 0.021 (4) | 0.096 (4) | 0.071 (5) |
| F4 | 0.133 (4) | 0.229 (7) | 0.219 (6) | −0.014 (4) | −0.051 (4) | 0.051 (5) |
| B | 0.018 (2) | 0.157 (7) | 0.150 (6) | 0.004 (4) | 0.006 (3) | 0.106 (6) |
| Cu—P1 | 2.2775 (10) | C2—H9 | 1.0600 |
| Cu—P2 | 2.2724 (11) | C2—H3 | 0.9500 |
| Cu—P3 | 2.2820 (10) | C2—H2 | 0.9500 |
| Cu—P4 | 2.2851 (10) | C3—H6 | 0.9500 |
| P1—C111 | 1.841 (4) | C3—H5 | 0.9400 |
| P1—C121 | 1.822 (3) | C3—H10 | 1.0900 |
| P1—C131 | 1.812 (5) | C3—H11 | 0.9600 |
| P2—C211 | 1.827 (4) | C3—H7 | 0.9600 |
| P2—C221 | 1.815 (3) | C311—C312 | 1.376 (5) |
| P2—C231 | 1.816 (4) | C311—C316 | 1.376 (5) |
| P3—C311 | 1.836 (3) | C212—H212 | 0.9500 |
| P3—C321 | 1.837 (3) | C312—C313 | 1.379 (6) |
| P3—C331 | 1.827 (3) | C313—C314 | 1.378 (6) |
| P4—C411 | 1.826 (3) | C213—H213 | 0.9500 |
| P4—C421 | 1.827 (3) | C314—C315 | 1.354 (6) |
| P4—C431 | 1.812 (3) | C214—H214 | 0.9500 |
| F1—B | 1.194 (11) | C315—C316 | 1.386 (6) |
| F2—B | 1.401 (10) | C215—H215 | 0.9500 |
| F3—B | 1.352 (10) | C216—H216 | 0.9500 |
| F4—B | 1.307 (9) | C321—C326 | 1.384 (5) |
| O1—C1 | 1.409 (13) | C321—C322 | 1.370 (5) |
| O1—H1 | 0.8800 | C222—H222 | 0.9500 |
| C111—C116 | 1.381 (7) | C322—C323 | 1.401 (5) |
| C111—C112 | 1.394 (6) | C323—C324 | 1.373 (6) |
| C112—C113 | 1.411 (7) | C223—H223 | 0.9500 |
| C113—C114 | 1.353 (12) | C224—H224 | 0.9500 |
| C114—C115 | 1.356 (9) | C324—C325 | 1.368 (6) |
| C115—C116 | 1.385 (8) | C325—C326 | 1.384 (5) |
| C121—C126 | 1.380 (6) | C225—H225 | 0.9500 |
| C121—C122 | 1.375 (7) | C226—H226 | 0.9500 |
| C122—C123 | 1.392 (8) | C331—C431 | 1.325 (5) |
| C123—C124 | 1.338 (9) | C231—H231 | 0.9500 |
| C124—C125 | 1.345 (8) | C411—C416 | 1.384 (5) |
| C125—C126 | 1.398 (6) | C411—C412 | 1.391 (6) |
| C131—C231 | 1.306 (7) | C312—H312 | 0.9500 |
| C1—C2 | 1.187 (18) | C412—C413 | 1.372 (7) |
| C1—C3 | 1.20 (3) | C313—H313 | 0.9500 |
| C211—C216 | 1.367 (7) | C413—C414 | 1.382 (9) |
| C211—C212 | 1.381 (6) | C414—C415 | 1.363 (7) |
| C112—H112 | 0.9500 | C314—H314 | 0.9500 |
| C212—C213 | 1.376 (8) | C415—C416 | 1.376 (7) |
| C113—H113 | 0.9500 | C315—H315 | 0.9500 |
| C213—C214 | 1.353 (14) | C316—H316 | 0.9500 |
| C214—C215 | 1.383 (10) | C421—C422 | 1.371 (6) |
| C114—H114 | 0.9500 | C421—C426 | 1.393 (6) |
| C215—C216 | 1.413 (8) | C322—H322 | 0.9500 |
| C115—H115 | 0.9500 | C422—C423 | 1.392 (7) |
| C116—H116 | 0.9500 | C423—C424 | 1.356 (8) |
| C221—C222 | 1.380 (6) | C323—H323 | 0.9500 |
| C221—C226 | 1.388 (6) | C324—H324 | 0.9500 |
| C122—H122 | 0.9500 | C424—C425 | 1.373 (7) |
| C222—C223 | 1.392 (6) | C425—C426 | 1.393 (6) |
| C223—C224 | 1.374 (8) | C325—H325 | 0.9500 |
| C123—H123 | 0.9500 | C326—H326 | 0.9500 |
| C224—C225 | 1.358 (7) | C331—H331 | 0.9500 |
| C124—H124 | 0.9500 | C412—H412 | 0.9500 |
| C125—H125 | 0.9500 | C413—H413 | 0.9500 |
| C225—C226 | 1.387 (6) | C414—H414 | 0.9500 |
| C126—H126 | 0.9500 | C415—H415 | 0.9500 |
| C131—H131 | 0.9500 | C416—H416 | 0.9500 |
| C1—H9 | 0.9600 | C422—H422 | 0.9500 |
| C1—H10 | 0.9500 | C423—H423 | 0.9500 |
| C1—H8 | 0.9500 | C424—H424 | 0.9500 |
| C1—H11 | 0.9400 | C425—H425 | 0.9500 |
| C2—H4 | 0.9500 | C426—H426 | 0.9500 |
| C2—H8 | 0.9400 | C431—H431 | 0.9500 |
| Cu···H112 | 3.6200 | C326···H413vii | 2.8900 |
| Cu···H122 | 3.4800 | C326···H331 | 2.8900 |
| Cu···H212 | 3.4400 | C426···C124xii | 3.540 (7) |
| Cu···H222 | 3.4600 | C426···C416 | 3.581 (7) |
| Cu···H312 | 3.6000 | C331···H326 | 2.8800 |
| Cu···H322 | 3.5400 | C331···H312 | 2.8500 |
| Cu···H412 | 3.4100 | C431···F4ix | 3.245 (6) |
| Cu···H422 | 3.5200 | C421···H416 | 2.6300 |
| P1···P2 | 3.2106 (15) | C422···H122 | 2.9700 |
| P1···P3 | 3.7360 (13) | C422···H416 | 3.0800 |
| P1···C231 | 2.736 (5) | C424···H6vi | 2.8400 |
| P2···P1 | 3.2106 (15) | C425···H8vi | 3.0200 |
| P2···P4 | 3.7546 (13) | C425···H11vi | 3.0400 |
| P2···C131 | 2.734 (5) | C425···H6vi | 3.0700 |
| P3···P1 | 3.7360 (13) | C426···H416 | 3.0200 |
| P3···P4 | 3.2284 (13) | C426···H431 | 2.9300 |
| P3···C431 | 2.760 (3) | C431···H412 | 3.0200 |
| P4···P2 | 3.7546 (13) | C431···H426 | 2.7100 |
| P4···P3 | 3.2284 (13) | B···H1 | 2.9700 |
| P4···C331 | 2.750 (3) | H1···B | 2.9700 |
| F1···C231 | 3.257 (9) | H1···H331i | 2.3300 |
| F1···C131 | 3.355 (9) | H1···F4 | 2.1200 |
| F2···C131 | 3.306 (6) | H1···H5 | 1.9400 |
| F3···C426i | 3.349 (7) | H2···H216iii | 2.3800 |
| F4···C431i | 3.245 (6) | H3···H7 | 1.9800 |
| F4···O1 | 2.998 (9) | H3···H6 | 2.5400 |
| F1···H231 | 2.5900 | H5···H1 | 1.9400 |
| F1···H131 | 2.7800 | H6···H424viii | 2.5300 |
| F2···H126 | 2.5700 | H6···H3 | 2.5400 |
| F2···H123ii | 2.7100 | H6···C425viii | 3.0700 |
| F2···H224iii | 2.7900 | H6···C424viii | 2.8400 |
| F2···H131 | 2.4100 | H7···H3 | 1.9800 |
| F3···H215iv | 2.6000 | H7···C225iii | 3.0700 |
| F3···H426i | 2.4700 | H8···C425viii | 3.0200 |
| F4···H1 | 2.1200 | H8···H425viii | 2.5200 |
| F4···H224iii | 2.7200 | H9···C225iii | 3.0700 |
| F4···H431i | 2.4900 | H9···C224iii | 2.8900 |
| O1···F4 | 2.998 (9) | H10···C224iii | 2.8200 |
| O1···C331i | 3.356 (7) | H10···C225iii | 2.9500 |
| O1···H331i | 2.4800 | H11···C425viii | 3.0400 |
| O1···H115v | 2.8200 | H112···C131 | 2.9300 |
| C2···H216iii | 2.9300 | H112···Cu | 3.6200 |
| C115···C315 | 3.333 (7) | H113···H416viii | 2.5100 |
| C116···C126 | 3.556 (6) | H114···H415viii | 2.4100 |
| C116···C315 | 3.529 (6) | H115···O1iii | 2.8200 |
| C116···C316 | 3.546 (6) | H116···C126 | 3.0700 |
| C122···C422 | 3.428 (7) | H116···C121 | 2.6200 |
| C124···C426ii | 3.540 (7) | H116···C122 | 2.9900 |
| C125···C426ii | 3.576 (7) | H122···Cu | 3.4800 |
| C125···C425ii | 3.414 (7) | H122···C422 | 2.9700 |
| C126···C116 | 3.556 (6) | H122···C312 | 3.1000 |
| C131···F1 | 3.355 (9) | H123···F2xii | 2.7100 |
| C131···F2 | 3.306 (6) | H125···H312ii | 2.5400 |
| C211···C411 | 3.573 (5) | H126···H131 | 2.2600 |
| C211···C412 | 3.560 (6) | H126···C131 | 2.7800 |
| C212···C414iv | 3.547 (6) | H126···F2 | 2.5700 |
| C213···C414iv | 3.363 (7) | H131···F1 | 2.7800 |
| C114···H226iii | 3.0600 | H131···H126 | 2.2600 |
| C214···C414iv | 3.549 (7) | H131···F2 | 2.4100 |
| C215···C414 | 3.540 (7) | H131···C126 | 2.9100 |
| C215···C415iv | 3.567 (7) | H212···Cu | 3.4400 |
| C216···C412 | 3.534 (6) | H212···C231 | 2.9400 |
| C216···C413 | 3.474 (7) | H213···H316vi | 2.5600 |
| C216···C226 | 3.598 (6) | H215···F3xi | 2.6000 |
| C121···H116 | 2.6200 | H216···H2v | 2.3800 |
| C122···H422 | 3.0600 | H216···C221 | 2.6500 |
| C222···C322 | 3.525 (5) | H216···C226 | 3.0700 |
| C122···H116 | 2.9900 | H216···C2v | 2.9300 |
| C126···H324vi | 2.9700 | H222···Cu | 3.4600 |
| C226···C216 | 3.598 (6) | H222···H412 | 2.4900 |
| C126···H116 | 3.0700 | H224···F4v | 2.7200 |
| C126···H131 | 2.9100 | H224···F2v | 2.7900 |
| C131···H112 | 2.9300 | H226···C231 | 2.7900 |
| C231···F1 | 3.257 (9) | H226···H231 | 2.3100 |
| C131···H126 | 2.7800 | H226···C114v | 3.0600 |
| C315···C412vii | 3.545 (6) | H231···F1 | 2.5900 |
| C315···C116 | 3.529 (6) | H231···H226 | 2.3100 |
| C315···C115 | 3.333 (7) | H231···C226 | 2.9600 |
| C316···C116 | 3.546 (6) | H312···Cu | 3.6000 |
| C316···C326 | 3.453 (5) | H312···C331 | 2.8500 |
| C221···H216 | 2.6500 | H312···H125xii | 2.5400 |
| C322···C222 | 3.525 (5) | H313···C324vii | 2.9900 |
| C222···H322 | 2.9500 | H314···C321vii | 3.0700 |
| C224···H10v | 2.8200 | H314···C326vii | 2.8300 |
| C224···H9v | 2.8900 | H316···H213viii | 2.5600 |
| C225···H424viii | 2.9200 | H316···C326 | 3.0100 |
| C225···H10v | 2.9500 | H316···C321 | 2.6700 |
| C225···H7v | 3.0700 | H322···Cu | 3.5400 |
| C225···H9v | 3.0700 | H322···C222 | 2.9500 |
| C326···C316 | 3.453 (5) | H324···C126viii | 2.9700 |
| C226···H231 | 2.9600 | H326···H331 | 2.3400 |
| C226···H216 | 3.0700 | H326···C331 | 2.8800 |
| C331···O1ix | 3.356 (7) | H331···O1ix | 2.4800 |
| C231···H226 | 2.7900 | H331···C326 | 2.8900 |
| C231···H212 | 2.9400 | H331···H1ix | 2.3300 |
| C411···C211 | 3.573 (5) | H331···H326 | 2.3400 |
| C312···H122 | 3.1000 | H412···C315x | 3.0000 |
| C412···C211 | 3.560 (6) | H412···Cu | 3.4100 |
| C412···C315x | 3.545 (6) | H412···C431 | 3.0200 |
| C412···C216 | 3.534 (6) | H412···H222 | 2.4900 |
| C413···C216 | 3.474 (7) | H413···C316x | 3.0500 |
| C414···C213xi | 3.363 (7) | H413···C326x | 2.8900 |
| C414···C215 | 3.540 (7) | H413···C325x | 3.0500 |
| C414···C212xi | 3.547 (6) | H414···C325x | 3.0700 |
| C414···C214xi | 3.549 (7) | H415···H114vi | 2.4100 |
| C315···H412vii | 3.0000 | H416···C422 | 3.0800 |
| C415···C215xi | 3.567 (7) | H416···C426 | 3.0200 |
| C416···C426 | 3.581 (7) | H416···C421 | 2.6300 |
| C316···H413vii | 3.0500 | H416···H113vi | 2.5100 |
| C321···H316 | 2.6700 | H422···C122 | 3.0600 |
| C321···H314x | 3.0700 | H422···Cu | 3.5200 |
| C422···C122 | 3.428 (7) | H424···C225vi | 2.9200 |
| C324···H313x | 2.9900 | H424···H6vi | 2.5300 |
| C325···H413vii | 3.0500 | H425···H8vi | 2.5200 |
| C425···C125xii | 3.414 (7) | H426···F3ix | 2.4700 |
| C325···H414vii | 3.0700 | H426···H431 | 2.2700 |
| C426···C125xii | 3.576 (7) | H426···C431 | 2.7100 |
| C326···H314x | 2.8300 | H431···H426 | 2.2700 |
| C326···H316 | 3.0100 | H431···C426 | 2.9300 |
| C426···F3ix | 3.349 (7) | H431···F4ix | 2.4900 |
| P1—Cu—P2 | 89.76 (4) | H4—C2—H9 | 144.00 |
| P1—Cu—P3 | 110.05 (3) | H5—C3—H7 | 109.00 |
| P1—Cu—P4 | 130.20 (3) | H5—C3—H10 | 85.00 |
| P2—Cu—P3 | 131.21 (3) | H5—C3—H11 | 133.00 |
| P2—Cu—P4 | 110.94 (3) | C1—C3—H6 | 110.00 |
| P3—Cu—P4 | 89.97 (3) | C1—C3—H5 | 110.00 |
| Cu—P1—C111 | 115.80 (14) | H10—C3—H11 | 98.00 |
| Cu—P1—C121 | 125.78 (13) | C1—C3—H10 | 49.00 |
| Cu—P1—C131 | 103.31 (16) | C1—C3—H11 | 50.00 |
| C111—P1—C121 | 102.61 (18) | C1—C3—H7 | 109.00 |
| C111—P1—C131 | 101.5 (2) | H7—C3—H11 | 118.00 |
| C121—P1—C131 | 104.89 (19) | H6—C3—H10 | 158.00 |
| Cu—P2—C211 | 116.16 (14) | H5—C3—H6 | 110.00 |
| Cu—P2—C221 | 123.99 (13) | H6—C3—H7 | 109.00 |
| Cu—P2—C231 | 103.52 (16) | H6—C3—H11 | 60.00 |
| C211—P2—C221 | 104.60 (18) | H7—C3—H10 | 79.00 |
| C211—P2—C231 | 99.8 (2) | C312—C311—C316 | 119.1 (3) |
| C221—P2—C231 | 105.6 (2) | P3—C311—C312 | 118.9 (3) |
| Cu—P3—C311 | 112.33 (13) | P3—C311—C316 | 121.9 (3) |
| Cu—P3—C321 | 129.55 (10) | C213—C212—H212 | 119.00 |
| Cu—P3—C331 | 103.06 (11) | C211—C212—H212 | 119.00 |
| C311—P3—C321 | 102.73 (15) | C311—C312—C313 | 120.1 (4) |
| C311—P3—C331 | 102.29 (17) | C212—C213—H213 | 120.00 |
| C321—P3—C331 | 103.56 (14) | C312—C313—C314 | 120.6 (4) |
| Cu—P4—C411 | 116.48 (11) | C214—C213—H213 | 120.00 |
| Cu—P4—C421 | 125.03 (13) | C215—C214—H214 | 120.00 |
| Cu—P4—C431 | 103.34 (11) | C313—C314—C315 | 119.3 (5) |
| C411—P4—C421 | 103.59 (16) | C213—C214—H214 | 120.00 |
| C411—P4—C431 | 100.91 (18) | C214—C215—H215 | 121.00 |
| C421—P4—C431 | 104.25 (18) | C314—C315—C316 | 120.7 (4) |
| C1—O1—H1 | 112.00 | C216—C215—H215 | 120.00 |
| P1—C111—C112 | 118.6 (4) | C215—C216—H216 | 120.00 |
| C112—C111—C116 | 119.0 (4) | C211—C216—H216 | 120.00 |
| P1—C111—C116 | 122.3 (3) | C311—C316—C315 | 120.2 (3) |
| C111—C112—C113 | 118.6 (5) | P3—C321—C326 | 121.1 (2) |
| C112—C113—C114 | 121.0 (5) | C322—C321—C326 | 119.5 (3) |
| C113—C114—C115 | 120.3 (6) | P3—C321—C322 | 119.4 (2) |
| C114—C115—C116 | 120.4 (6) | C221—C222—H222 | 120.00 |
| C111—C116—C115 | 120.7 (4) | C223—C222—H222 | 120.00 |
| P1—C121—C122 | 118.5 (3) | C321—C322—C323 | 120.2 (4) |
| P1—C121—C126 | 122.7 (3) | C224—C223—H223 | 120.00 |
| C122—C121—C126 | 118.7 (4) | C222—C223—H223 | 120.00 |
| C121—C122—C123 | 120.3 (5) | C322—C323—C324 | 119.7 (4) |
| C122—C123—C124 | 119.9 (5) | C223—C224—H224 | 120.00 |
| C123—C124—C125 | 121.5 (5) | C323—C324—C325 | 120.1 (3) |
| C124—C125—C126 | 119.8 (5) | C225—C224—H224 | 120.00 |
| C121—C126—C125 | 119.8 (4) | C224—C225—H225 | 120.00 |
| P1—C131—C231 | 121.9 (3) | C324—C325—C326 | 120.4 (4) |
| C2—C1—C3 | 125.6 (17) | C226—C225—H225 | 120.00 |
| O1—C1—C2 | 126.7 (13) | C321—C326—C325 | 120.1 (4) |
| O1—C1—C3 | 107.7 (14) | C225—C226—H226 | 120.00 |
| P2—C211—C216 | 123.1 (3) | C221—C226—H226 | 119.00 |
| C212—C211—C216 | 119.2 (4) | C131—C231—H231 | 119.00 |
| P2—C211—C212 | 117.6 (4) | P3—C331—C431 | 121.4 (2) |
| C211—C212—C213 | 121.2 (5) | P2—C231—H231 | 119.00 |
| C113—C112—H112 | 121.00 | C412—C411—C416 | 118.8 (4) |
| C111—C112—H112 | 121.00 | P4—C411—C416 | 123.9 (3) |
| C212—C213—C214 | 119.9 (5) | P4—C411—C412 | 117.4 (3) |
| C112—C113—H113 | 120.00 | C311—C312—H312 | 120.00 |
| C114—C113—H113 | 120.00 | C313—C312—H312 | 120.00 |
| C115—C114—H114 | 120.00 | C411—C412—C413 | 120.7 (4) |
| C213—C214—C215 | 120.8 (6) | C314—C313—H313 | 120.00 |
| C113—C114—H114 | 120.00 | C312—C313—H313 | 120.00 |
| C114—C115—H115 | 120.00 | C412—C413—C414 | 119.7 (5) |
| C214—C215—C216 | 118.9 (6) | C413—C414—C415 | 120.1 (5) |
| C116—C115—H115 | 120.00 | C313—C314—H314 | 120.00 |
| C211—C216—C215 | 120.0 (4) | C315—C314—H314 | 120.00 |
| C111—C116—H116 | 119.00 | C316—C315—H315 | 120.00 |
| C115—C116—H116 | 120.00 | C414—C415—C416 | 120.6 (4) |
| P2—C221—C222 | 119.1 (3) | C314—C315—H315 | 120.00 |
| P2—C221—C226 | 123.4 (3) | C315—C316—H316 | 120.00 |
| C222—C221—C226 | 117.6 (3) | C411—C416—C415 | 120.2 (4) |
| C221—C222—C223 | 120.9 (4) | C311—C316—H316 | 120.00 |
| C123—C122—H122 | 120.00 | C422—C421—C426 | 120.2 (3) |
| C121—C122—H122 | 120.00 | P4—C421—C426 | 121.7 (3) |
| C124—C123—H123 | 120.00 | P4—C421—C422 | 118.1 (3) |
| C122—C123—H123 | 120.00 | C321—C322—H322 | 120.00 |
| C222—C223—C224 | 120.5 (5) | C421—C422—C423 | 120.2 (4) |
| C123—C124—H124 | 119.00 | C323—C322—H322 | 120.00 |
| C125—C124—H124 | 119.00 | C324—C323—H323 | 120.00 |
| C223—C224—C225 | 119.2 (4) | C422—C423—C424 | 120.2 (5) |
| C124—C125—H125 | 120.00 | C322—C323—H323 | 120.00 |
| C126—C125—H125 | 120.00 | C323—C324—H324 | 120.00 |
| C224—C225—C226 | 120.7 (5) | C423—C424—C425 | 119.8 (4) |
| C221—C226—C225 | 121.1 (4) | C325—C324—H324 | 120.00 |
| C125—C126—H126 | 120.00 | C326—C325—H325 | 120.00 |
| C121—C126—H126 | 120.00 | C324—C325—H325 | 120.00 |
| C231—C131—H131 | 119.00 | C424—C425—C426 | 121.3 (5) |
| P1—C131—H131 | 119.00 | C321—C326—H326 | 120.00 |
| P2—C231—C131 | 121.4 (3) | C421—C426—C425 | 118.2 (4) |
| O1—C1—H11 | 105.00 | C325—C326—H326 | 120.00 |
| H8—C1—H9 | 109.00 | P4—C431—C331 | 121.6 (2) |
| C3—C1—H10 | 60.00 | P3—C331—H331 | 119.00 |
| C3—C1—H11 | 52.00 | C431—C331—H331 | 119.00 |
| O1—C1—H10 | 105.00 | C411—C412—H412 | 120.00 |
| O1—C1—H9 | 110.00 | C413—C412—H412 | 120.00 |
| O1—C1—H8 | 110.00 | C414—C413—H413 | 120.00 |
| H10—C1—H11 | 110.00 | C412—C413—H413 | 120.00 |
| C2—C1—H8 | 51.00 | C413—C414—H414 | 120.00 |
| C2—C1—H9 | 58.00 | C415—C414—H414 | 120.00 |
| C2—C1—H10 | 104.00 | C416—C415—H415 | 120.00 |
| C2—C1—H11 | 105.00 | C414—C415—H415 | 120.00 |
| C3—C1—H8 | 111.00 | C415—C416—H416 | 120.00 |
| C3—C1—H9 | 109.00 | C411—C416—H416 | 120.00 |
| H8—C1—H10 | 145.00 | C423—C422—H422 | 120.00 |
| H8—C1—H11 | 64.00 | C421—C422—H422 | 120.00 |
| H9—C1—H10 | 54.00 | C422—C423—H423 | 120.00 |
| H9—C1—H11 | 144.00 | C424—C423—H423 | 120.00 |
| H3—C2—H4 | 110.00 | C423—C424—H424 | 120.00 |
| H3—C2—H8 | 99.00 | C425—C424—H424 | 120.00 |
| C1—C2—H2 | 109.00 | C426—C425—H425 | 119.00 |
| H2—C2—H9 | 64.00 | C424—C425—H425 | 119.00 |
| H2—C2—H8 | 150.00 | C421—C426—H426 | 121.00 |
| C1—C2—H3 | 109.00 | C425—C426—H426 | 121.00 |
| C1—C2—H4 | 109.00 | C331—C431—H431 | 119.00 |
| C1—C2—H8 | 51.00 | P4—C431—H431 | 119.00 |
| C1—C2—H9 | 50.00 | F1—B—F2 | 108.4 (5) |
| H2—C2—H3 | 110.00 | F1—B—F3 | 113.9 (9) |
| H2—C2—H4 | 109.00 | F1—B—F4 | 130.1 (9) |
| H8—C2—H9 | 101.00 | F2—B—F3 | 110.7 (7) |
| H3—C2—H9 | 106.00 | F2—B—F4 | 94.0 (7) |
| H4—C2—H8 | 66.00 | F3—B—F4 | 97.5 (5) |
| P2—Cu—P1—C111 | −107.91 (16) | C211—P2—C231—C131 | 119.5 (4) |
| P2—Cu—P1—C121 | 121.75 (15) | C221—P2—C231—C131 | −132.2 (4) |
| P2—Cu—P1—C131 | 2.03 (14) | Cu—P3—C311—C312 | 60.4 (4) |
| P3—Cu—P1—C111 | 26.50 (17) | Cu—P3—C311—C316 | −115.0 (3) |
| P3—Cu—P1—C121 | −103.83 (15) | C321—P3—C311—C312 | −156.6 (4) |
| P3—Cu—P1—C131 | 136.44 (14) | C321—P3—C311—C316 | 28.0 (4) |
| P4—Cu—P1—C111 | 134.42 (16) | C331—P3—C311—C312 | −49.5 (4) |
| P4—Cu—P1—C121 | 4.08 (16) | C331—P3—C311—C316 | 135.2 (4) |
| P4—Cu—P1—C131 | −115.65 (14) | Cu—P3—C321—C322 | 17.7 (3) |
| P1—Cu—P2—C211 | −109.30 (16) | Cu—P3—C321—C326 | −162.3 (2) |
| P1—Cu—P2—C221 | 118.66 (15) | C311—P3—C321—C322 | −116.1 (3) |
| P1—Cu—P2—C231 | −1.08 (14) | C311—P3—C321—C326 | 63.9 (3) |
| P3—Cu—P2—C211 | 133.82 (16) | C331—P3—C321—C322 | 137.7 (3) |
| P3—Cu—P2—C221 | 1.78 (16) | C331—P3—C321—C326 | −42.3 (3) |
| P3—Cu—P2—C231 | −117.96 (14) | Cu—P3—C331—C431 | −5.3 (4) |
| P4—Cu—P2—C211 | 24.30 (17) | C311—P3—C331—C431 | 111.4 (3) |
| P4—Cu—P2—C221 | −107.75 (15) | C321—P3—C331—C431 | −142.1 (3) |
| P4—Cu—P2—C231 | 132.52 (14) | Cu—P4—C411—C412 | 47.5 (3) |
| P1—Cu—P3—C311 | 30.44 (14) | Cu—P4—C411—C416 | −130.4 (3) |
| P1—Cu—P3—C321 | −99.97 (13) | C421—P4—C411—C412 | −171.2 (3) |
| P1—Cu—P3—C331 | 139.80 (11) | C421—P4—C411—C416 | 10.8 (3) |
| P2—Cu—P3—C311 | 138.73 (14) | C431—P4—C411—C412 | −63.5 (3) |
| P2—Cu—P3—C321 | 8.32 (15) | C431—P4—C411—C416 | 118.6 (3) |
| P2—Cu—P3—C331 | −111.91 (12) | Cu—P4—C421—C422 | 38.9 (4) |
| P4—Cu—P3—C311 | −102.95 (14) | Cu—P4—C421—C426 | −143.6 (3) |
| P4—Cu—P3—C321 | 126.65 (13) | C411—P4—C421—C422 | −98.0 (3) |
| P4—Cu—P3—C331 | 6.41 (11) | C411—P4—C421—C426 | 79.6 (3) |
| P1—Cu—P4—C411 | 127.31 (13) | C431—P4—C421—C422 | 156.8 (3) |
| P1—Cu—P4—C421 | −4.73 (16) | C431—P4—C421—C426 | −25.7 (4) |
| P1—Cu—P4—C431 | −123.09 (16) | Cu—P4—C431—C331 | 5.4 (4) |
| P2—Cu—P4—C411 | 18.79 (13) | C411—P4—C431—C331 | 126.2 (4) |
| P2—Cu—P4—C421 | −113.25 (15) | C421—P4—C431—C331 | −126.6 (4) |
| P2—Cu—P4—C431 | 128.39 (16) | P2—C211—C212—C213 | −177.2 (4) |
| P3—Cu—P4—C411 | −116.05 (12) | C216—C211—C212—C213 | −1.0 (7) |
| P3—Cu—P4—C421 | 111.91 (15) | P2—C211—C216—C215 | 177.4 (4) |
| P3—Cu—P4—C431 | −6.45 (16) | C212—C211—C216—C215 | 1.4 (7) |
| Cu—P1—C111—C112 | 57.1 (4) | C211—C212—C213—C214 | 0.0 (8) |
| Cu—P1—C111—C116 | −119.4 (3) | C212—C213—C214—C215 | 0.6 (9) |
| C121—P1—C111—C112 | −162.3 (3) | C213—C214—C215—C216 | −0.2 (8) |
| C121—P1—C111—C116 | 21.3 (4) | C214—C215—C216—C211 | −0.8 (7) |
| C131—P1—C111—C112 | −54.0 (4) | P2—C221—C222—C223 | 178.5 (3) |
| C131—P1—C111—C116 | 129.6 (4) | C226—C221—C222—C223 | −0.2 (6) |
| Cu—P1—C121—C122 | 33.8 (4) | P2—C221—C226—C225 | −178.5 (3) |
| Cu—P1—C121—C126 | −150.1 (3) | C222—C221—C226—C225 | 0.2 (6) |
| C111—P1—C121—C122 | −101.5 (3) | C221—C222—C223—C224 | 0.5 (6) |
| C111—P1—C121—C126 | 74.6 (4) | C222—C223—C224—C225 | −0.6 (7) |
| C131—P1—C121—C122 | 152.8 (3) | C223—C224—C225—C226 | 0.6 (7) |
| C131—P1—C121—C126 | −31.1 (4) | C224—C225—C226—C221 | −0.4 (7) |
| Cu—P1—C131—C231 | −3.2 (4) | P4—C411—C412—C413 | −176.4 (4) |
| C111—P1—C131—C231 | 117.1 (4) | C416—C411—C412—C413 | 1.7 (6) |
| C121—P1—C131—C231 | −136.4 (4) | P4—C411—C416—C415 | 175.6 (3) |
| Cu—P2—C211—C212 | 50.4 (4) | C412—C411—C416—C415 | −2.3 (6) |
| Cu—P2—C211—C216 | −125.7 (3) | C411—C412—C413—C414 | 0.2 (7) |
| C221—P2—C211—C212 | −169.1 (3) | C412—C413—C414—C415 | −1.6 (7) |
| C221—P2—C211—C216 | 14.8 (4) | C413—C414—C415—C416 | 1.0 (7) |
| C231—P2—C211—C212 | −60.0 (4) | C414—C415—C416—C411 | 1.0 (6) |
| C231—P2—C211—C216 | 123.9 (4) | P4—C421—C422—C423 | 178.4 (4) |
| Cu—P2—C221—C222 | 34.7 (3) | C426—C421—C422—C423 | 0.8 (7) |
| Cu—P2—C221—C226 | −146.7 (3) | P4—C421—C426—C425 | −178.6 (3) |
| C211—P2—C221—C222 | −101.8 (3) | C422—C421—C426—C425 | −1.1 (6) |
| C211—P2—C221—C226 | 76.9 (4) | C421—C422—C423—C424 | 0.9 (8) |
| C231—P2—C221—C222 | 153.4 (3) | C422—C423—C424—C425 | −2.4 (8) |
| C231—P2—C221—C226 | −27.9 (4) | C423—C424—C425—C426 | 2.2 (8) |
| Cu—P2—C231—C131 | −0.6 (4) | C424—C425—C426—C421 | −0.4 (7) |
| H··· | ||||
| O1—H1···F4 | 0.8800 | 2.1200 | 2.998 (9) | 179.00 |
| C131—H131···F2 | 0.9500 | 2.4100 | 3.306 (6) | 158.00 |
| C331—H331···O1ix | 0.9500 | 2.4800 | 3.356 (7) | 153.00 |
| C426—H426···F3ix | 0.9500 | 2.4700 | 3.349 (7) | 154.00 |
| C431—H431···F4ix | 0.9500 | 2.4900 | 3.245 (6) | 137.00 |
| Cu—P1 | 2.2775 (10) |
| Cu—P2 | 2.2724 (11) |
| Cu—P3 | 2.2820 (10) |
| Cu—P4 | 2.2851 (10) |
| P1—Cu—P2 | 89.76 (4) |
| P1—Cu—P3 | 110.05 (3) |
| P1—Cu—P4 | 130.20 (3) |
| P2—Cu—P3 | 131.21 (3) |
| P2—Cu—P4 | 110.94 (3) |
| P3—Cu—P4 | 89.97 (3) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1—H1⋯F4 | 0.8800 | 2.1200 | 2.998 (9) | 179.00 |