| Literature DB >> 21577761 |
Abstract
The centrosymmetric title compound, [Cu(2)(C(10)Entities:
Year: 2009 PMID: 21577761 PMCID: PMC2970481 DOI: 10.1107/S1600536809038252
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cu2(C10H8N2)2(C25H22P2)2](BF4)2 | |
| Triclinic, | |
| Mo | |
| Cell parameters from 1867 reflections | |
| θ = 2.3–22.2° | |
| α = 64.603 (1)° | µ = 0.84 mm−1 |
| β = 75.781 (2)° | |
| γ = 75.120 (2)° | Prism, yellow |
| 0.35 × 0.29 × 0.17 mm |
| Bruker SMART diffractometer | 5497 independent reflections |
| Radiation source: fine-focus sealed tube | 3264 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.0°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 8214 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 | |
| 5497 reflections | (Δ/σ)max = 0.001 |
| 434 parameters | Δρmax = 1.44 e Å−3 |
| 0 restraints | Δρmin = −0.80 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 | 0.50912 (7) | 0.43927 (7) | 0.35411 (6) | 0.0397 (3) | |
| B1 | 0.7558 (10) | 0.8853 (10) | 0.1027 (8) | 0.067 (3) | |
| F1 | 0.7993 (5) | 0.9609 (5) | 0.1329 (4) | 0.0951 (16) | |
| F2 | 0.645 (5) | 0.941 (8) | 0.066 (9) | 0.079 (10) | 0.6 (3) |
| F3 | 0.839 (5) | 0.868 (9) | 0.011 (6) | 0.087 (8) | 0.6 (3) |
| F4 | 0.749 (11) | 0.773 (6) | 0.193 (5) | 0.087 (14) | 0.6 (3) |
| F2' | 0.666 (12) | 0.955 (10) | 0.035 (9) | 0.078 (12) | 0.4 (3) |
| F3' | 0.701 (16) | 0.801 (12) | 0.203 (4) | 0.090 (16) | 0.4 (3) |
| F4' | 0.845 (5) | 0.822 (19) | 0.047 (16) | 0.09 (2) | 0.4 (3) |
| N1 | 0.5285 (5) | 0.2987 (5) | 0.2966 (5) | 0.0493 (14) | |
| N2 | 0.5743 (5) | 0.5269 (5) | 0.1790 (4) | 0.0447 (13) | |
| P1 | 0.68607 (14) | 0.38802 (15) | 0.42487 (13) | 0.0363 (4) | |
| P2 | 0.31095 (14) | 0.47660 (14) | 0.41841 (13) | 0.0347 (4) | |
| C1 | 0.5006 (7) | 0.1871 (7) | 0.3560 (7) | 0.060 (2) | |
| H1 | 0.4710 | 0.1653 | 0.4336 | 0.072* | |
| C2 | 0.5126 (8) | 0.1007 (8) | 0.3098 (9) | 0.079 (3) | |
| H2 | 0.4918 | 0.0234 | 0.3549 | 0.094* | |
| C3 | 0.5562 (9) | 0.1334 (9) | 0.1957 (10) | 0.093 (3) | |
| H3 | 0.5648 | 0.0785 | 0.1612 | 0.111* | |
| C4 | 0.5874 (8) | 0.2486 (9) | 0.1322 (8) | 0.084 (3) | |
| H4 | 0.6173 | 0.2719 | 0.0545 | 0.101* | |
| C5 | 0.5737 (6) | 0.3292 (7) | 0.1850 (6) | 0.0530 (18) | |
| C6 | 0.6058 (6) | 0.4537 (7) | 0.1216 (6) | 0.0478 (17) | |
| C7 | 0.6681 (8) | 0.4930 (9) | 0.0094 (6) | 0.072 (2) | |
| H7 | 0.6900 | 0.4411 | −0.0300 | 0.086* | |
| C8 | 0.6957 (8) | 0.6078 (9) | −0.0406 (7) | 0.083 (3) | |
| H8 | 0.7371 | 0.6351 | −0.1151 | 0.100* | |
| C9 | 0.6636 (8) | 0.6832 (9) | 0.0169 (7) | 0.079 (3) | |
| H9 | 0.6821 | 0.7623 | −0.0170 | 0.095* | |
| C10 | 0.6031 (6) | 0.6396 (7) | 0.1266 (6) | 0.0568 (19) | |
| H10 | 0.5811 | 0.6910 | 0.1665 | 0.068* | |
| C11 | 0.7495 (6) | 0.4990 (5) | 0.4462 (5) | 0.0388 (15) | |
| H11A | 0.7360 | 0.5779 | 0.3828 | 0.047* | |
| H11B | 0.8365 | 0.4719 | 0.4426 | 0.047* | |
| C12 | 0.8068 (6) | 0.3515 (6) | 0.3173 (5) | 0.0410 (15) | |
| C13 | 0.8772 (6) | 0.4376 (7) | 0.2381 (5) | 0.0519 (18) | |
| H13 | 0.8689 | 0.5132 | 0.2430 | 0.062* | |
| C14 | 0.9579 (7) | 0.4115 (9) | 0.1541 (6) | 0.073 (2) | |
| H14 | 1.0053 | 0.4695 | 0.1024 | 0.087* | |
| C15 | 0.9717 (7) | 0.3019 (9) | 0.1431 (6) | 0.070 (2) | |
| H15 | 1.0289 | 0.2853 | 0.0855 | 0.084* | |
| C16 | 0.8997 (7) | 0.2156 (8) | 0.2183 (7) | 0.068 (2) | |
| H16 | 0.9049 | 0.1427 | 0.2094 | 0.081* | |
| C17 | 0.8198 (6) | 0.2406 (7) | 0.3070 (6) | 0.0503 (17) | |
| H17 | 0.7743 | 0.1817 | 0.3604 | 0.060* | |
| C18 | 0.7024 (6) | 0.2477 (6) | 0.5546 (5) | 0.0434 (16) | |
| C19 | 0.6008 (7) | 0.2131 (7) | 0.6317 (6) | 0.0568 (19) | |
| H19 | 0.5247 | 0.2569 | 0.6144 | 0.068* | |
| C20 | 0.6108 (11) | 0.1126 (9) | 0.7358 (7) | 0.084 (3) | |
| H20 | 0.5419 | 0.0916 | 0.7889 | 0.101* | |
| C21 | 0.7213 (12) | 0.0459 (8) | 0.7592 (8) | 0.086 (3) | |
| H21 | 0.7279 | −0.0225 | 0.8276 | 0.103* | |
| C22 | 0.8256 (9) | 0.0790 (7) | 0.6813 (7) | 0.074 (2) | |
| H22 | 0.9015 | 0.0329 | 0.6972 | 0.088* | |
| C23 | 0.8146 (7) | 0.1794 (6) | 0.5820 (6) | 0.0549 (18) | |
| H23 | 0.8842 | 0.2030 | 0.5310 | 0.066* | |
| C24 | 0.2196 (5) | 0.6013 (6) | 0.3136 (5) | 0.0378 (14) | |
| C25 | 0.2751 (6) | 0.6778 (6) | 0.2144 (5) | 0.0461 (16) | |
| H25 | 0.3593 | 0.6671 | 0.2001 | 0.055* | |
| C26 | 0.2088 (7) | 0.7724 (7) | 0.1330 (6) | 0.059 (2) | |
| H26 | 0.2483 | 0.8256 | 0.0661 | 0.071* | |
| C27 | 0.0844 (7) | 0.7861 (7) | 0.1526 (7) | 0.066 (2) | |
| H27 | 0.0390 | 0.8474 | 0.0984 | 0.079* | |
| C28 | 0.0279 (7) | 0.7079 (7) | 0.2535 (7) | 0.066 (2) | |
| H28 | −0.0562 | 0.7167 | 0.2667 | 0.080* | |
| C29 | 0.0928 (6) | 0.6180 (7) | 0.3343 (6) | 0.0580 (19) | |
| H29 | 0.0530 | 0.5678 | 0.4030 | 0.070* | |
| C30 | 0.2459 (5) | 0.3410 (6) | 0.4496 (5) | 0.0387 (15) | |
| C31 | 0.2526 (6) | 0.2395 (6) | 0.5525 (5) | 0.0486 (17) | |
| H31 | 0.2842 | 0.2428 | 0.6097 | 0.058* | |
| C32 | 0.2132 (7) | 0.1342 (7) | 0.5712 (6) | 0.060 (2) | |
| H32 | 0.2182 | 0.0675 | 0.6410 | 0.072* | |
| C33 | 0.1666 (7) | 0.1261 (7) | 0.4878 (7) | 0.066 (2) | |
| H33 | 0.1394 | 0.0552 | 0.5006 | 0.079* | |
| C34 | 0.1615 (7) | 0.2254 (7) | 0.3860 (7) | 0.066 (2) | |
| H34 | 0.1317 | 0.2208 | 0.3284 | 0.079* | |
| C35 | 0.1991 (7) | 0.3318 (7) | 0.3662 (6) | 0.0581 (19) | |
| H35 | 0.1932 | 0.3983 | 0.2964 | 0.070* |
| Cu1 | 0.0353 (5) | 0.0503 (5) | 0.0409 (5) | −0.0031 (4) | −0.0079 (3) | −0.0260 (4) |
| B1 | 0.068 (7) | 0.088 (8) | 0.054 (6) | 0.001 (6) | −0.027 (5) | −0.035 (6) |
| F1 | 0.088 (4) | 0.112 (4) | 0.103 (4) | −0.009 (3) | −0.028 (3) | −0.056 (3) |
| F2 | 0.055 (13) | 0.12 (2) | 0.06 (2) | 0.003 (10) | −0.013 (14) | −0.04 (2) |
| F3 | 0.065 (11) | 0.12 (2) | 0.068 (16) | 0.019 (12) | −0.018 (9) | −0.044 (19) |
| F4 | 0.09 (3) | 0.093 (17) | 0.078 (11) | −0.021 (16) | −0.044 (16) | −0.014 (9) |
| F2' | 0.06 (3) | 0.12 (2) | 0.04 (2) | 0.000 (19) | −0.017 (18) | −0.03 (2) |
| F3' | 0.09 (4) | 0.12 (2) | 0.062 (12) | −0.01 (3) | −0.031 (17) | −0.027 (14) |
| F4' | 0.067 (11) | 0.13 (5) | 0.09 (4) | 0.03 (2) | −0.038 (18) | −0.07 (4) |
| N1 | 0.039 (3) | 0.057 (4) | 0.058 (4) | −0.006 (3) | −0.004 (3) | −0.031 (3) |
| N2 | 0.034 (3) | 0.060 (4) | 0.045 (3) | −0.007 (3) | −0.004 (2) | −0.027 (3) |
| P1 | 0.0317 (9) | 0.0466 (10) | 0.0361 (9) | −0.0026 (7) | −0.0063 (6) | −0.0230 (8) |
| P2 | 0.0334 (9) | 0.0424 (9) | 0.0345 (8) | −0.0041 (7) | −0.0087 (6) | −0.0201 (8) |
| C1 | 0.055 (5) | 0.054 (5) | 0.074 (5) | −0.005 (4) | −0.004 (4) | −0.033 (4) |
| C2 | 0.076 (6) | 0.058 (5) | 0.120 (8) | 0.001 (4) | −0.015 (5) | −0.059 (6) |
| C3 | 0.100 (8) | 0.087 (7) | 0.121 (9) | −0.003 (6) | −0.010 (6) | −0.080 (7) |
| C4 | 0.083 (7) | 0.115 (8) | 0.091 (7) | −0.018 (6) | −0.001 (5) | −0.081 (7) |
| C5 | 0.041 (4) | 0.080 (5) | 0.063 (5) | −0.002 (4) | −0.012 (3) | −0.054 (4) |
| C6 | 0.035 (4) | 0.073 (5) | 0.049 (4) | −0.005 (3) | −0.008 (3) | −0.038 (4) |
| C7 | 0.076 (6) | 0.110 (7) | 0.050 (5) | −0.026 (5) | −0.001 (4) | −0.048 (5) |
| C8 | 0.099 (7) | 0.115 (8) | 0.042 (5) | −0.046 (6) | 0.010 (4) | −0.032 (5) |
| C9 | 0.090 (7) | 0.091 (6) | 0.051 (5) | −0.043 (5) | −0.011 (4) | −0.008 (5) |
| C10 | 0.053 (5) | 0.063 (5) | 0.056 (5) | −0.010 (4) | −0.002 (3) | −0.027 (4) |
| C11 | 0.040 (4) | 0.045 (4) | 0.037 (3) | −0.009 (3) | −0.005 (3) | −0.021 (3) |
| C12 | 0.038 (4) | 0.050 (4) | 0.037 (3) | 0.011 (3) | −0.015 (3) | −0.025 (3) |
| C13 | 0.051 (4) | 0.070 (5) | 0.040 (4) | −0.007 (4) | −0.005 (3) | −0.029 (4) |
| C14 | 0.065 (6) | 0.102 (7) | 0.051 (5) | −0.015 (5) | 0.001 (4) | −0.034 (5) |
| C15 | 0.061 (5) | 0.101 (7) | 0.047 (5) | 0.009 (5) | −0.003 (4) | −0.044 (5) |
| C16 | 0.068 (5) | 0.086 (6) | 0.065 (5) | 0.027 (5) | −0.022 (4) | −0.060 (5) |
| C17 | 0.043 (4) | 0.064 (5) | 0.050 (4) | 0.000 (3) | −0.011 (3) | −0.032 (4) |
| C18 | 0.053 (4) | 0.046 (4) | 0.041 (4) | −0.010 (3) | −0.008 (3) | −0.025 (3) |
| C19 | 0.066 (5) | 0.066 (5) | 0.047 (4) | −0.023 (4) | −0.006 (4) | −0.025 (4) |
| C20 | 0.132 (9) | 0.085 (7) | 0.050 (5) | −0.069 (7) | 0.001 (5) | −0.021 (5) |
| C21 | 0.146 (10) | 0.053 (5) | 0.060 (6) | −0.025 (6) | −0.042 (7) | −0.005 (5) |
| C22 | 0.101 (7) | 0.057 (5) | 0.066 (5) | 0.013 (5) | −0.036 (5) | −0.030 (5) |
| C23 | 0.067 (5) | 0.052 (4) | 0.049 (4) | 0.000 (4) | −0.019 (4) | −0.022 (4) |
| C24 | 0.036 (4) | 0.045 (4) | 0.042 (4) | −0.004 (3) | −0.012 (3) | −0.023 (3) |
| C25 | 0.041 (4) | 0.049 (4) | 0.045 (4) | 0.004 (3) | −0.011 (3) | −0.020 (3) |
| C26 | 0.076 (6) | 0.053 (4) | 0.037 (4) | −0.003 (4) | −0.002 (4) | −0.015 (4) |
| C27 | 0.059 (5) | 0.065 (5) | 0.073 (5) | 0.011 (4) | −0.034 (4) | −0.024 (5) |
| C28 | 0.046 (5) | 0.073 (5) | 0.069 (5) | −0.002 (4) | −0.027 (4) | −0.011 (5) |
| C29 | 0.045 (4) | 0.070 (5) | 0.052 (4) | −0.008 (4) | −0.009 (3) | −0.017 (4) |
| C30 | 0.031 (3) | 0.045 (4) | 0.043 (4) | −0.005 (3) | −0.009 (3) | −0.019 (3) |
| C31 | 0.056 (4) | 0.054 (4) | 0.042 (4) | −0.011 (3) | −0.012 (3) | −0.022 (4) |
| C32 | 0.070 (5) | 0.053 (5) | 0.055 (5) | −0.018 (4) | −0.009 (4) | −0.015 (4) |
| C33 | 0.070 (6) | 0.049 (5) | 0.088 (6) | −0.024 (4) | −0.012 (5) | −0.029 (5) |
| C34 | 0.077 (6) | 0.066 (5) | 0.081 (6) | −0.017 (4) | −0.033 (4) | −0.038 (5) |
| C35 | 0.072 (5) | 0.063 (5) | 0.049 (4) | −0.010 (4) | −0.022 (4) | −0.026 (4) |
| Cu1—N1 | 2.094 (5) | C13—C14 | 1.351 (9) |
| Cu1—N2 | 2.106 (5) | C13—H13 | 0.9300 |
| Cu1—P2 | 2.2384 (17) | C14—C15 | 1.371 (11) |
| Cu1—P1 | 2.2830 (18) | C14—H14 | 0.9300 |
| B1—F4' | 1.38 (5) | C15—C16 | 1.388 (11) |
| B1—F4 | 1.38 (3) | C15—H15 | 0.9300 |
| B1—F2 | 1.38 (6) | C16—C17 | 1.389 (9) |
| B1—F1 | 1.381 (11) | C16—H16 | 0.9300 |
| B1—F2' | 1.39 (10) | C17—H17 | 0.9300 |
| B1—F3' | 1.40 (6) | C18—C19 | 1.373 (9) |
| B1—F3 | 1.40 (3) | C18—C23 | 1.386 (9) |
| N1—C1 | 1.325 (8) | C19—C20 | 1.395 (11) |
| N1—C5 | 1.344 (8) | C19—H19 | 0.9300 |
| N2—C6 | 1.329 (8) | C20—C21 | 1.354 (13) |
| N2—C10 | 1.336 (8) | C20—H20 | 0.9300 |
| P1—C18 | 1.830 (7) | C21—C22 | 1.396 (13) |
| P1—C11 | 1.840 (6) | C21—H21 | 0.9300 |
| P1—C12 | 1.840 (6) | C22—C23 | 1.358 (10) |
| P2—C30 | 1.837 (6) | C22—H22 | 0.9300 |
| P2—C24 | 1.847 (6) | C23—H23 | 0.9300 |
| P2—C11i | 1.860 (6) | C24—C25 | 1.352 (8) |
| C1—C2 | 1.387 (10) | C24—C29 | 1.402 (9) |
| C1—H1 | 0.9300 | C25—C26 | 1.396 (9) |
| C2—C3 | 1.368 (13) | C25—H25 | 0.9300 |
| C2—H2 | 0.9300 | C26—C27 | 1.377 (10) |
| C3—C4 | 1.380 (12) | C26—H26 | 0.9300 |
| C3—H3 | 0.9300 | C27—C28 | 1.377 (10) |
| C4—C5 | 1.385 (10) | C27—H27 | 0.9300 |
| C4—H4 | 0.9300 | C28—C29 | 1.364 (10) |
| C5—C6 | 1.479 (9) | C28—H28 | 0.9300 |
| C6—C7 | 1.401 (10) | C29—H29 | 0.9300 |
| C7—C8 | 1.353 (11) | C30—C35 | 1.387 (9) |
| C7—H7 | 0.9300 | C30—C31 | 1.388 (8) |
| C8—C9 | 1.354 (11) | C31—C32 | 1.375 (9) |
| C8—H8 | 0.9300 | C31—H31 | 0.9300 |
| C9—C10 | 1.370 (10) | C32—C33 | 1.379 (10) |
| C9—H9 | 0.9300 | C32—H32 | 0.9300 |
| C10—H10 | 0.9300 | C33—C34 | 1.366 (10) |
| C11—P2i | 1.860 (6) | C33—H33 | 0.9300 |
| C11—H11A | 0.9700 | C34—C35 | 1.374 (9) |
| C11—H11B | 0.9700 | C34—H34 | 0.9300 |
| C12—C17 | 1.382 (9) | C35—H35 | 0.9300 |
| C12—C13 | 1.390 (9) | ||
| N1—Cu1—N2 | 78.6 (2) | P2i—C11—H11A | 108.1 |
| N1—Cu1—P2 | 104.72 (15) | P1—C11—H11B | 108.1 |
| N2—Cu1—P2 | 119.60 (15) | P2i—C11—H11B | 108.1 |
| N1—Cu1—P1 | 101.00 (16) | H11A—C11—H11B | 107.3 |
| N2—Cu1—P1 | 99.03 (15) | C17—C12—C13 | 118.7 (6) |
| P2—Cu1—P1 | 136.81 (6) | C17—C12—P1 | 119.3 (5) |
| F4'—B1—F4 | 86 (5) | C13—C12—P1 | 121.6 (5) |
| F4'—B1—F2 | 122 (3) | C14—C13—C12 | 120.0 (7) |
| F4—B1—F2 | 112 (2) | C14—C13—H13 | 120.0 |
| F4'—B1—F1 | 113 (4) | C12—C13—H13 | 120.0 |
| F4—B1—F1 | 109.9 (18) | C13—C14—C15 | 121.7 (8) |
| F2—B1—F1 | 111 (3) | C13—C14—H14 | 119.1 |
| F4'—B1—F2' | 111 (4) | C15—C14—H14 | 119.1 |
| F4—B1—F2' | 126 (4) | C14—C15—C16 | 119.7 (7) |
| F2—B1—F2' | 17 (3) | C14—C15—H15 | 120.2 |
| F1—B1—F2' | 109 (5) | C16—C15—H15 | 120.2 |
| F4'—B1—F3' | 109 (4) | C15—C16—C17 | 118.6 (7) |
| F4—B1—F3' | 24 (3) | C15—C16—H16 | 120.7 |
| F2—B1—F3' | 91 (4) | C17—C16—H16 | 120.7 |
| F1—B1—F3' | 107 (2) | C12—C17—C16 | 121.2 (7) |
| F2'—B1—F3' | 107 (4) | C12—C17—H17 | 119.4 |
| F4'—B1—F3 | 23 (6) | C16—C17—H17 | 119.4 |
| F4—B1—F3 | 110 (2) | C19—C18—C23 | 118.4 (7) |
| F2—B1—F3 | 108.1 (18) | C19—C18—P1 | 119.1 (6) |
| F1—B1—F3 | 106.7 (18) | C23—C18—P1 | 122.4 (5) |
| F2'—B1—F3 | 93 (3) | C18—C19—C20 | 120.6 (8) |
| F3'—B1—F3 | 131 (3) | C18—C19—H19 | 119.7 |
| C1—N1—C5 | 117.9 (6) | C20—C19—H19 | 119.7 |
| C1—N1—Cu1 | 128.0 (5) | C21—C20—C19 | 119.7 (8) |
| C5—N1—Cu1 | 114.1 (5) | C21—C20—H20 | 120.1 |
| C6—N2—C10 | 118.2 (6) | C19—C20—H20 | 120.1 |
| C6—N2—Cu1 | 114.5 (4) | C20—C21—C22 | 120.5 (8) |
| C10—N2—Cu1 | 126.4 (5) | C20—C21—H21 | 119.8 |
| C18—P1—C11 | 104.8 (3) | C22—C21—H21 | 119.8 |
| C18—P1—C12 | 103.4 (3) | C23—C22—C21 | 119.1 (8) |
| C11—P1—C12 | 100.2 (3) | C23—C22—H22 | 120.5 |
| C18—P1—Cu1 | 116.5 (2) | C21—C22—H22 | 120.5 |
| C11—P1—Cu1 | 122.8 (2) | C22—C23—C18 | 121.7 (7) |
| C12—P1—Cu1 | 106.3 (2) | C22—C23—H23 | 119.2 |
| C30—P2—C24 | 102.6 (3) | C18—C23—H23 | 119.2 |
| C30—P2—C11i | 100.2 (3) | C25—C24—C29 | 118.9 (6) |
| C24—P2—C11i | 104.2 (3) | C25—C24—P2 | 120.0 (5) |
| C30—P2—Cu1 | 108.4 (2) | C29—C24—P2 | 121.1 (5) |
| C24—P2—Cu1 | 115.4 (2) | C24—C25—C26 | 121.4 (7) |
| C11i—P2—Cu1 | 123.3 (2) | C24—C25—H25 | 119.3 |
| N1—C1—C2 | 124.1 (8) | C26—C25—H25 | 119.3 |
| N1—C1—H1 | 117.9 | C27—C26—C25 | 119.3 (7) |
| C2—C1—H1 | 117.9 | C27—C26—H26 | 120.3 |
| C3—C2—C1 | 117.6 (8) | C25—C26—H26 | 120.3 |
| C3—C2—H2 | 121.2 | C26—C27—C28 | 119.3 (7) |
| C1—C2—H2 | 121.2 | C26—C27—H27 | 120.4 |
| C2—C3—C4 | 119.3 (8) | C28—C27—H27 | 120.4 |
| C2—C3—H3 | 120.3 | C29—C28—C27 | 121.2 (8) |
| C4—C3—H3 | 120.3 | C29—C28—H28 | 119.4 |
| C3—C4—C5 | 119.5 (8) | C27—C28—H28 | 119.4 |
| C3—C4—H4 | 120.2 | C28—C29—C24 | 119.8 (7) |
| C5—C4—H4 | 120.2 | C28—C29—H29 | 120.1 |
| N1—C5—C4 | 121.4 (7) | C24—C29—H29 | 120.1 |
| N1—C5—C6 | 116.5 (6) | C35—C30—C31 | 117.6 (6) |
| C4—C5—C6 | 122.1 (7) | C35—C30—P2 | 120.7 (5) |
| N2—C6—C7 | 121.2 (7) | C31—C30—P2 | 121.5 (5) |
| N2—C6—C5 | 115.7 (5) | C32—C31—C30 | 121.1 (6) |
| C7—C6—C5 | 123.1 (7) | C32—C31—H31 | 119.5 |
| C8—C7—C6 | 118.8 (8) | C30—C31—H31 | 119.5 |
| C8—C7—H7 | 120.6 | C31—C32—C33 | 120.9 (7) |
| C6—C7—H7 | 120.6 | C31—C32—H32 | 119.6 |
| C7—C8—C9 | 120.5 (7) | C33—C32—H32 | 119.6 |
| C7—C8—H8 | 119.8 | C34—C33—C32 | 118.1 (7) |
| C9—C8—H8 | 119.8 | C34—C33—H33 | 121.0 |
| C8—C9—C10 | 118.1 (8) | C32—C33—H33 | 121.0 |
| C8—C9—H9 | 121.0 | C33—C34—C35 | 121.8 (7) |
| C10—C9—H9 | 121.0 | C33—C34—H34 | 119.1 |
| N2—C10—C9 | 123.2 (7) | C35—C34—H34 | 119.1 |
| N2—C10—H10 | 118.4 | C34—C35—C30 | 120.6 (7) |
| C9—C10—H10 | 118.4 | C34—C35—H35 | 119.7 |
| P1—C11—P2i | 116.7 (3) | C30—C35—H35 | 119.7 |
| P1—C11—H11A | 108.1 | ||
| N2—Cu1—N1—C1 | −177.1 (6) | Cu1—P1—C11—P2i | 83.5 (4) |
| P2—Cu1—N1—C1 | −59.2 (6) | C18—P1—C12—C17 | 48.0 (6) |
| P1—Cu1—N1—C1 | 85.8 (6) | C11—P1—C12—C17 | 156.0 (5) |
| N2—Cu1—N1—C5 | 2.0 (5) | Cu1—P1—C12—C17 | −75.2 (5) |
| P2—Cu1—N1—C5 | 119.9 (4) | C18—P1—C12—C13 | −138.8 (5) |
| P1—Cu1—N1—C5 | −95.1 (5) | C11—P1—C12—C13 | −30.8 (6) |
| N1—Cu1—N2—C6 | −5.9 (4) | Cu1—P1—C12—C13 | 98.0 (5) |
| P2—Cu1—N2—C6 | −106.4 (4) | C17—C12—C13—C14 | −0.9 (10) |
| P1—Cu1—N2—C6 | 93.6 (4) | P1—C12—C13—C14 | −174.2 (6) |
| N1—Cu1—N2—C10 | −175.2 (6) | C12—C13—C14—C15 | 0.9 (12) |
| P2—Cu1—N2—C10 | 84.3 (6) | C13—C14—C15—C16 | 1.3 (13) |
| P1—Cu1—N2—C10 | −75.7 (6) | C14—C15—C16—C17 | −3.5 (12) |
| N1—Cu1—P1—C18 | −69.1 (3) | C13—C12—C17—C16 | −1.3 (10) |
| N2—Cu1—P1—C18 | −149.1 (3) | P1—C12—C17—C16 | 172.1 (5) |
| P2—Cu1—P1—C18 | 56.7 (2) | C15—C16—C17—C12 | 3.5 (11) |
| N1—Cu1—P1—C11 | 159.5 (3) | C11—P1—C18—C19 | 108.9 (5) |
| N2—Cu1—P1—C11 | 79.5 (3) | C12—P1—C18—C19 | −146.6 (5) |
| P2—Cu1—P1—C11 | −74.6 (2) | Cu1—P1—C18—C19 | −30.4 (6) |
| N1—Cu1—P1—C12 | 45.4 (3) | C11—P1—C18—C23 | −66.6 (6) |
| N2—Cu1—P1—C12 | −34.6 (3) | C12—P1—C18—C23 | 38.0 (6) |
| P2—Cu1—P1—C12 | 171.2 (2) | Cu1—P1—C18—C23 | 154.1 (5) |
| N1—Cu1—P2—C30 | 21.0 (3) | C23—C18—C19—C20 | 1.0 (10) |
| N2—Cu1—P2—C30 | 106.0 (3) | P1—C18—C19—C20 | −174.6 (5) |
| P1—Cu1—P2—C30 | −103.7 (2) | C18—C19—C20—C21 | −2.5 (11) |
| N1—Cu1—P2—C24 | −93.3 (3) | C19—C20—C21—C22 | 1.9 (13) |
| N2—Cu1—P2—C24 | −8.3 (3) | C20—C21—C22—C23 | 0.3 (13) |
| P1—Cu1—P2—C24 | 142.1 (2) | C21—C22—C23—C18 | −1.9 (11) |
| N1—Cu1—P2—C11i | 137.2 (3) | C19—C18—C23—C22 | 1.2 (10) |
| N2—Cu1—P2—C11i | −137.8 (3) | P1—C18—C23—C22 | 176.7 (5) |
| P1—Cu1—P2—C11i | 12.5 (3) | C30—P2—C24—C25 | −129.9 (5) |
| C5—N1—C1—C2 | −1.4 (11) | C11i—P2—C24—C25 | 126.0 (5) |
| Cu1—N1—C1—C2 | 177.7 (6) | Cu1—P2—C24—C25 | −12.4 (6) |
| N1—C1—C2—C3 | 0.0 (13) | C30—P2—C24—C29 | 49.5 (6) |
| C1—C2—C3—C4 | 0.8 (14) | C11i—P2—C24—C29 | −54.6 (6) |
| C2—C3—C4—C5 | −0.1 (15) | Cu1—P2—C24—C29 | 167.1 (5) |
| C1—N1—C5—C4 | 2.0 (10) | C29—C24—C25—C26 | 0.1 (10) |
| Cu1—N1—C5—C4 | −177.2 (6) | P2—C24—C25—C26 | 179.5 (5) |
| C1—N1—C5—C6 | −179.1 (6) | C24—C25—C26—C27 | −1.8 (10) |
| Cu1—N1—C5—C6 | 1.7 (8) | C25—C26—C27—C28 | 1.5 (11) |
| C3—C4—C5—N1 | −1.3 (13) | C26—C27—C28—C29 | 0.5 (12) |
| C3—C4—C5—C6 | 179.9 (8) | C27—C28—C29—C24 | −2.2 (12) |
| C10—N2—C6—C7 | 0.3 (10) | C25—C24—C29—C28 | 1.9 (10) |
| Cu1—N2—C6—C7 | −169.9 (6) | P2—C24—C29—C28 | −177.6 (6) |
| C10—N2—C6—C5 | 178.7 (6) | C24—P2—C30—C35 | 32.0 (6) |
| Cu1—N2—C6—C5 | 8.5 (7) | C11i—P2—C30—C35 | 139.2 (6) |
| N1—C5—C6—N2 | −6.9 (9) | Cu1—P2—C30—C35 | −90.5 (6) |
| C4—C5—C6—N2 | 172.0 (7) | C24—P2—C30—C31 | −154.5 (5) |
| N1—C5—C6—C7 | 171.4 (7) | C11i—P2—C30—C31 | −47.3 (6) |
| C4—C5—C6—C7 | −9.7 (11) | Cu1—P2—C30—C31 | 83.1 (5) |
| N2—C6—C7—C8 | −0.2 (12) | C35—C30—C31—C32 | −0.5 (9) |
| C5—C6—C7—C8 | −178.5 (8) | P2—C30—C31—C32 | −174.2 (5) |
| C6—C7—C8—C9 | 0.0 (14) | C30—C31—C32—C33 | 0.4 (11) |
| C7—C8—C9—C10 | 0.2 (14) | C31—C32—C33—C34 | 0.5 (12) |
| C6—N2—C10—C9 | −0.1 (11) | C32—C33—C34—C35 | −1.2 (12) |
| Cu1—N2—C10—C9 | 168.8 (6) | C33—C34—C35—C30 | 1.1 (12) |
| C8—C9—C10—N2 | −0.1 (13) | C31—C30—C35—C34 | −0.2 (10) |
| C18—P1—C11—P2i | −52.5 (4) | P2—C30—C35—C34 | 173.6 (6) |
| C12—P1—C11—P2i | −159.4 (3) |