Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680600818X/hg2014sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680600818X/hg2014Isup2.hkl |
CCDC reference: 605079
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SHELXL97 (Sheldrick, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97; molecular graphics: XP (Sheldrick, 1998); software used to prepare material for publication: XP.
[Cu2(C12H10N2)(C12H10N4)(C18H15P)2](BF4)2 | Z = 1 |
Mr = 1217.70 | F(000) = 622 |
Triclinic, P1 | Dx = 1.386 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.196 (5) Å | Cell parameters from 777 reflections |
b = 10.710 (6) Å | θ = 3.2–23.8° |
c = 13.590 (7) Å | µ = 0.85 mm−1 |
α = 82.447 (12)° | T = 292 K |
β = 84.181 (12)° | Block, yellow |
γ = 84.620 (13)° | 0.20 × 0.18 × 0.16 mm |
V = 1458.8 (14) Å3 |
Bruker SMART CCD area-detector diffractometer | 4985 independent reflections |
Radiation source: fine-focus sealed tube | 2554 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.068 |
φ and ω scans | θmax = 25.0°, θmin = 2.3° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→12 |
Tmin = 0.845, Tmax = 0.876 | k = −12→12 |
7124 measured reflections | l = −11→16 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.066 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.216 | H-atom parameters constrained |
S = 0.96 | w = 1/[σ2(Fo2) + (0.1091P)2] where P = (Fo2 + 2Fc2)/3 |
4985 reflections | (Δ/σ)max < 0.001 |
407 parameters | Δρmax = 0.80 e Å−3 |
206 restraints | Δρmin = −1.17 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 F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Cu1 | 0.52519 (8) | 0.84937 (9) | 0.85846 (6) | 0.0372 (3) | |
P1 | 0.34264 (17) | 0.86788 (18) | 0.78490 (13) | 0.0367 (5) | |
N1 | 0.5938 (5) | 0.7028 (5) | 0.9581 (4) | 0.0354 (14) | |
N2 | 0.5223 (5) | 0.9395 (5) | 0.9885 (4) | 0.0322 (13) | |
N3 | 0.6849 (6) | 0.8860 (6) | 0.7613 (4) | 0.0413 (15) | |
C1 | 0.6446 (8) | 0.5893 (7) | 0.9415 (6) | 0.049 (2) | |
H1 | 0.6398 | 0.5653 | 0.8788 | 0.059* | |
C2 | 0.7044 (8) | 0.5036 (8) | 1.0113 (6) | 0.058 (2) | |
H2 | 0.7399 | 0.4246 | 0.9960 | 0.070* | |
C3 | 0.7097 (9) | 0.5392 (8) | 1.1038 (7) | 0.065 (2) | |
H3 | 0.7502 | 0.4844 | 1.1527 | 0.078* | |
C4 | 0.6559 (8) | 0.6536 (8) | 1.1234 (5) | 0.051 (2) | |
H4 | 0.6556 | 0.6772 | 1.1869 | 0.062* | |
C5 | 0.6017 (6) | 0.7353 (6) | 1.0496 (5) | 0.0350 (16) | |
C6 | 0.5527 (7) | 0.8623 (7) | 1.0631 (5) | 0.0386 (17) | |
H6 | 0.5433 | 0.8879 | 1.1264 | 0.046* | |
C7 | 0.7304 (8) | 0.8026 (10) | 0.6986 (6) | 0.065 (3) | |
H7 | 0.6953 | 0.7244 | 0.7074 | 0.078* | |
C8 | 0.8246 (9) | 0.8260 (13) | 0.6230 (7) | 0.080 (3) | |
H8 | 0.8532 | 0.7635 | 0.5824 | 0.096* | |
C9 | 0.8780 (8) | 0.9375 (13) | 0.6051 (6) | 0.070 (3) | |
C10 | 0.8373 (8) | 1.0201 (10) | 0.6709 (8) | 0.071 (3) | |
H10 | 0.8749 | 1.0969 | 0.6647 | 0.085* | |
C11 | 0.7398 (8) | 0.9921 (9) | 0.7479 (6) | 0.055 (2) | |
H11 | 0.7130 | 1.0517 | 0.7914 | 0.066* | |
C12 | 0.9754 (9) | 0.9592 (14) | 0.5192 (9) | 0.109 (5) | |
H12 | 1.0018 | 0.8859 | 0.4901 | 0.131* | |
C13 | 0.3002 (7) | 1.0248 (7) | 0.7241 (5) | 0.0386 (17) | |
C14 | 0.3915 (9) | 1.0801 (9) | 0.6550 (7) | 0.064 (2) | |
H14 | 0.4723 | 1.0356 | 0.6399 | 0.076* | |
C15 | 0.3657 (12) | 1.2007 (10) | 0.6073 (8) | 0.083 (3) | |
H15 | 0.4299 | 1.2382 | 0.5625 | 0.099* | |
C16 | 0.2458 (13) | 1.2645 (10) | 0.6261 (9) | 0.085 (3) | |
H16 | 0.2263 | 1.3442 | 0.5922 | 0.102* | |
C17 | 0.1561 (11) | 1.2118 (9) | 0.6936 (9) | 0.076 (3) | |
H17 | 0.0749 | 1.2561 | 0.7076 | 0.091* | |
C18 | 0.1826 (8) | 1.0935 (8) | 0.7425 (6) | 0.054 (2) | |
H18 | 0.1188 | 1.0589 | 0.7894 | 0.065* | |
C19 | 0.1964 (7) | 0.8291 (7) | 0.8641 (6) | 0.0443 (18) | |
C20 | 0.1880 (8) | 0.8522 (9) | 0.9622 (6) | 0.064 (2) | |
H20 | 0.2581 | 0.8858 | 0.9855 | 0.077* | |
C21 | 0.0787 (11) | 0.8267 (12) | 1.0253 (8) | 0.093 (4) | |
H21 | 0.0760 | 0.8416 | 1.0914 | 0.112* | |
C22 | −0.0225 (12) | 0.7816 (13) | 0.9945 (12) | 0.112 (5) | |
H22 | −0.0985 | 0.7704 | 1.0376 | 0.134* | |
C23 | −0.0178 (10) | 0.7498 (13) | 0.8966 (12) | 0.108 (4) | |
H23 | −0.0865 | 0.7108 | 0.8763 | 0.129* | |
C24 | 0.0904 (9) | 0.7776 (10) | 0.8323 (8) | 0.080 (3) | |
H24 | 0.0930 | 0.7619 | 0.7664 | 0.096* | |
C25 | 0.3464 (7) | 0.7690 (7) | 0.6862 (5) | 0.0413 (18) | |
C26 | 0.4149 (7) | 0.6545 (7) | 0.6944 (6) | 0.050 (2) | |
H26 | 0.4638 | 0.6312 | 0.7490 | 0.060* | |
C27 | 0.4155 (9) | 0.5698 (8) | 0.6250 (7) | 0.064 (2) | |
H27 | 0.4622 | 0.4909 | 0.6338 | 0.076* | |
C28 | 0.3456 (10) | 0.6055 (10) | 0.5433 (7) | 0.072 (3) | |
H28 | 0.3441 | 0.5507 | 0.4958 | 0.086* | |
C29 | 0.2790 (10) | 0.7213 (10) | 0.5325 (6) | 0.081 (3) | |
H29 | 0.2327 | 0.7457 | 0.4767 | 0.097* | |
C30 | 0.2784 (9) | 0.8024 (9) | 0.6015 (7) | 0.070 (3) | |
H30 | 0.2319 | 0.8814 | 0.5920 | 0.084* | |
B1 | 0.7049 (12) | 0.3420 (12) | 0.7463 (10) | 0.108 (8) | 0.545 (13) |
F1 | 0.8254 (10) | 0.3000 (11) | 0.7041 (11) | 0.102 (4) | 0.545 (13) |
F2 | 0.6102 (11) | 0.2875 (12) | 0.7066 (10) | 0.132 (6) | 0.545 (13) |
F3 | 0.6970 (15) | 0.3059 (14) | 0.8471 (9) | 0.170 (7) | 0.545 (13) |
F4 | 0.6818 (12) | 0.4687 (10) | 0.7288 (11) | 0.108 (5) | 0.545 (13) |
B1' | 0.7851 (17) | 0.3972 (17) | 0.7316 (14) | 0.133 (11) | 0.455 (13) |
F1' | 0.704 (2) | 0.496 (2) | 0.6937 (19) | 0.200 (12) | 0.455 (13) |
F2' | 0.8590 (18) | 0.4389 (18) | 0.7966 (13) | 0.167 (9) | 0.455 (13) |
F3' | 0.8651 (17) | 0.3538 (17) | 0.6549 (13) | 0.126 (6) | 0.455 (13) |
F4' | 0.716 (3) | 0.301 (2) | 0.780 (2) | 0.295 (14) | 0.455 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0393 (5) | 0.0581 (6) | 0.0144 (4) | −0.0011 (4) | −0.0023 (3) | −0.0073 (4) |
P1 | 0.0368 (10) | 0.0506 (12) | 0.0230 (10) | −0.0008 (9) | −0.0035 (8) | −0.0066 (9) |
N1 | 0.041 (3) | 0.044 (4) | 0.022 (3) | 0.002 (3) | −0.001 (2) | −0.012 (3) |
N2 | 0.037 (3) | 0.039 (3) | 0.020 (3) | −0.001 (3) | 0.000 (2) | −0.005 (3) |
N3 | 0.041 (3) | 0.061 (4) | 0.020 (3) | −0.006 (3) | 0.000 (3) | −0.003 (3) |
C1 | 0.061 (5) | 0.051 (5) | 0.034 (4) | 0.001 (4) | −0.001 (4) | −0.009 (4) |
C2 | 0.073 (6) | 0.051 (5) | 0.050 (6) | 0.006 (4) | −0.005 (5) | −0.012 (4) |
C3 | 0.083 (6) | 0.057 (6) | 0.047 (5) | 0.008 (5) | −0.011 (5) | 0.016 (4) |
C4 | 0.073 (5) | 0.061 (6) | 0.020 (4) | 0.002 (4) | −0.014 (4) | 0.000 (4) |
C5 | 0.035 (4) | 0.040 (4) | 0.029 (4) | 0.004 (3) | 0.002 (3) | −0.010 (3) |
C6 | 0.045 (4) | 0.050 (5) | 0.020 (4) | −0.003 (4) | 0.001 (3) | −0.007 (3) |
C7 | 0.050 (5) | 0.100 (7) | 0.049 (5) | −0.022 (5) | 0.010 (4) | −0.025 (5) |
C8 | 0.058 (6) | 0.144 (10) | 0.035 (5) | −0.013 (6) | 0.022 (4) | −0.020 (6) |
C9 | 0.033 (5) | 0.133 (9) | 0.029 (5) | 0.007 (6) | 0.008 (4) | 0.023 (6) |
C10 | 0.046 (5) | 0.083 (7) | 0.074 (7) | −0.015 (5) | 0.000 (5) | 0.029 (6) |
C11 | 0.055 (5) | 0.064 (6) | 0.044 (5) | −0.014 (5) | 0.011 (4) | −0.003 (4) |
C12 | 0.045 (7) | 0.185 (16) | 0.074 (9) | 0.005 (7) | −0.004 (6) | 0.062 (8) |
C13 | 0.051 (4) | 0.042 (4) | 0.025 (4) | −0.014 (4) | −0.006 (3) | −0.003 (3) |
C14 | 0.063 (5) | 0.075 (6) | 0.049 (5) | −0.013 (5) | −0.015 (4) | 0.019 (5) |
C15 | 0.098 (8) | 0.086 (8) | 0.061 (7) | −0.020 (7) | −0.022 (6) | 0.021 (6) |
C16 | 0.112 (9) | 0.061 (7) | 0.086 (8) | −0.016 (7) | −0.051 (7) | 0.016 (6) |
C17 | 0.075 (7) | 0.057 (6) | 0.096 (8) | 0.012 (5) | −0.034 (6) | −0.009 (6) |
C18 | 0.049 (5) | 0.057 (5) | 0.057 (5) | 0.005 (4) | −0.013 (4) | −0.013 (4) |
C19 | 0.039 (4) | 0.050 (5) | 0.041 (5) | −0.004 (4) | −0.003 (3) | 0.002 (4) |
C20 | 0.047 (5) | 0.101 (7) | 0.044 (5) | −0.011 (5) | 0.010 (4) | −0.016 (5) |
C21 | 0.063 (7) | 0.150 (11) | 0.063 (7) | −0.019 (7) | 0.026 (6) | −0.018 (7) |
C22 | 0.060 (7) | 0.155 (12) | 0.106 (11) | −0.015 (8) | 0.027 (7) | 0.015 (10) |
C23 | 0.046 (6) | 0.154 (12) | 0.121 (11) | −0.042 (7) | −0.011 (7) | 0.018 (9) |
C24 | 0.056 (6) | 0.123 (9) | 0.065 (7) | −0.032 (6) | −0.019 (5) | 0.001 (6) |
C25 | 0.050 (4) | 0.050 (5) | 0.025 (4) | 0.003 (4) | −0.013 (3) | −0.008 (3) |
C26 | 0.056 (5) | 0.058 (5) | 0.037 (5) | −0.003 (4) | −0.016 (4) | −0.003 (4) |
C27 | 0.076 (6) | 0.053 (5) | 0.064 (6) | −0.001 (5) | −0.006 (5) | −0.020 (5) |
C28 | 0.097 (7) | 0.082 (7) | 0.044 (6) | −0.016 (6) | −0.012 (5) | −0.025 (5) |
C29 | 0.117 (8) | 0.091 (7) | 0.043 (5) | 0.028 (6) | −0.047 (5) | −0.034 (5) |
C30 | 0.089 (7) | 0.069 (6) | 0.054 (6) | 0.023 (5) | −0.035 (5) | −0.017 (5) |
B1 | 0.110 (9) | 0.108 (9) | 0.106 (9) | −0.007 (5) | −0.009 (5) | −0.013 (5) |
F1 | 0.098 (6) | 0.099 (6) | 0.109 (6) | 0.001 (4) | 0.007 (4) | −0.026 (4) |
F2 | 0.133 (7) | 0.138 (7) | 0.128 (7) | −0.006 (4) | −0.022 (5) | −0.024 (5) |
F3 | 0.174 (8) | 0.176 (8) | 0.161 (8) | −0.010 (5) | −0.023 (5) | −0.020 (5) |
F4 | 0.117 (6) | 0.105 (6) | 0.101 (6) | 0.011 (4) | −0.017 (4) | −0.022 (4) |
B1' | 0.134 (12) | 0.134 (12) | 0.133 (12) | −0.010 (5) | −0.012 (5) | −0.020 (5) |
F1' | 0.204 (13) | 0.198 (13) | 0.198 (13) | −0.012 (5) | −0.021 (5) | −0.028 (5) |
F2' | 0.166 (9) | 0.176 (10) | 0.161 (10) | −0.008 (5) | −0.022 (5) | −0.029 (5) |
F3' | 0.131 (8) | 0.128 (8) | 0.121 (8) | −0.003 (5) | −0.011 (5) | −0.023 (5) |
F4' | 0.295 (15) | 0.296 (15) | 0.294 (15) | −0.024 (5) | −0.024 (5) | −0.036 (5) |
Cu1—N3 | 2.024 (6) | C15—C16 | 1.361 (14) |
Cu1—N1 | 2.052 (6) | C15—H15 | 0.9300 |
Cu1—N2 | 2.118 (5) | C16—C17 | 1.336 (14) |
Cu1—P1 | 2.182 (2) | C16—H16 | 0.9300 |
P1—C19 | 1.796 (8) | C17—C18 | 1.368 (12) |
P1—C13 | 1.808 (8) | C17—H17 | 0.9300 |
P1—C25 | 1.810 (7) | C18—H18 | 0.9300 |
N1—C1 | 1.314 (9) | C19—C20 | 1.380 (11) |
N1—C5 | 1.347 (8) | C19—C24 | 1.389 (11) |
N2—C6 | 1.267 (8) | C20—C21 | 1.363 (12) |
N2—N2i | 1.396 (10) | C20—H20 | 0.9300 |
N3—C11 | 1.296 (9) | C21—C22 | 1.306 (16) |
N3—C7 | 1.336 (10) | C21—H21 | 0.9300 |
C1—C2 | 1.376 (11) | C22—C23 | 1.413 (18) |
C1—H1 | 0.9300 | C22—H22 | 0.9300 |
C2—C3 | 1.368 (12) | C23—C24 | 1.366 (14) |
C2—H2 | 0.9300 | C23—H23 | 0.9300 |
C3—C4 | 1.344 (11) | C24—H24 | 0.9300 |
C3—H3 | 0.9300 | C25—C26 | 1.350 (10) |
C4—C5 | 1.367 (10) | C25—C30 | 1.394 (10) |
C4—H4 | 0.9300 | C26—C27 | 1.391 (11) |
C5—C6 | 1.433 (9) | C26—H26 | 0.9300 |
C6—H6 | 0.9300 | C27—C28 | 1.373 (13) |
C7—C8 | 1.348 (11) | C27—H27 | 0.9300 |
C7—H7 | 0.9300 | C28—C29 | 1.354 (12) |
C8—C9 | 1.342 (14) | C28—H28 | 0.9300 |
C8—H8 | 0.9300 | C29—C30 | 1.358 (11) |
C9—C10 | 1.349 (14) | C29—H29 | 0.9300 |
C9—C12 | 1.463 (12) | C30—H30 | 0.9300 |
C10—C11 | 1.392 (11) | B1—F4 | 1.350 (10) |
C10—H10 | 0.9300 | B1—F2 | 1.363 (10) |
C11—H11 | 0.9300 | B1—F1 | 1.364 (10) |
C12—C12ii | 1.09 (2) | B1—F3 | 1.370 (10) |
C12—H12 | 0.9300 | B1'—F1' | 1.356 (10) |
C13—C18 | 1.366 (10) | B1'—F4' | 1.358 (10) |
C13—C14 | 1.370 (11) | B1'—F2' | 1.360 (10) |
C14—C15 | 1.382 (12) | B1'—F3' | 1.361 (10) |
C14—H14 | 0.9300 | ||
N3—Cu1—N1 | 104.0 (2) | C15—C14—H14 | 119.4 |
N3—Cu1—N2 | 112.4 (2) | C16—C15—C14 | 119.7 (10) |
N1—Cu1—N2 | 78.7 (2) | C16—C15—H15 | 120.2 |
N3—Cu1—P1 | 112.28 (17) | C14—C15—H15 | 120.2 |
N1—Cu1—P1 | 128.12 (17) | C17—C16—C15 | 119.7 (10) |
N2—Cu1—P1 | 117.03 (15) | C17—C16—H16 | 120.2 |
C19—P1—C13 | 104.3 (3) | C15—C16—H16 | 120.2 |
C19—P1—C25 | 103.9 (4) | C16—C17—C18 | 120.7 (10) |
C13—P1—C25 | 103.5 (3) | C16—C17—H17 | 119.7 |
C19—P1—Cu1 | 115.6 (3) | C18—C17—H17 | 119.7 |
C13—P1—Cu1 | 114.3 (2) | C13—C18—C17 | 121.7 (9) |
C25—P1—Cu1 | 113.9 (2) | C13—C18—H18 | 119.2 |
C1—N1—C5 | 116.8 (6) | C17—C18—H18 | 119.2 |
C1—N1—Cu1 | 129.0 (5) | C20—C19—C24 | 117.8 (8) |
C5—N1—Cu1 | 113.7 (4) | C20—C19—P1 | 118.4 (6) |
C6—N2—N2i | 114.0 (6) | C24—C19—P1 | 123.8 (7) |
C6—N2—Cu1 | 112.0 (4) | C21—C20—C19 | 121.0 (9) |
N2i—N2—Cu1 | 133.4 (5) | C21—C20—H20 | 119.5 |
C11—N3—C7 | 116.0 (7) | C19—C20—H20 | 119.5 |
C11—N3—Cu1 | 124.4 (5) | C22—C21—C20 | 121.1 (11) |
C7—N3—Cu1 | 119.2 (6) | C22—C21—H21 | 119.5 |
N1—C1—C2 | 124.2 (7) | C20—C21—H21 | 119.5 |
N1—C1—H1 | 117.9 | C21—C22—C23 | 120.7 (10) |
C2—C1—H1 | 117.9 | C21—C22—H22 | 119.6 |
C3—C2—C1 | 117.5 (7) | C23—C22—H22 | 119.6 |
C3—C2—H2 | 121.2 | C24—C23—C22 | 118.3 (11) |
C1—C2—H2 | 121.2 | C24—C23—H23 | 120.9 |
C4—C3—C2 | 119.6 (8) | C22—C23—H23 | 120.9 |
C4—C3—H3 | 120.2 | C23—C24—C19 | 120.9 (10) |
C2—C3—H3 | 120.2 | C23—C24—H24 | 119.6 |
C3—C4—C5 | 119.6 (7) | C19—C24—H24 | 119.6 |
C3—C4—H4 | 120.2 | C26—C25—C30 | 116.7 (7) |
C5—C4—H4 | 120.2 | C26—C25—P1 | 119.6 (5) |
N1—C5—C4 | 122.2 (6) | C30—C25—P1 | 123.6 (6) |
N1—C5—C6 | 115.3 (6) | C25—C26—C27 | 123.0 (7) |
C4—C5—C6 | 122.5 (6) | C25—C26—H26 | 118.5 |
N2—C6—C5 | 119.7 (6) | C27—C26—H26 | 118.5 |
N2—C6—H6 | 120.2 | C28—C27—C26 | 118.4 (8) |
C5—C6—H6 | 120.2 | C28—C27—H27 | 120.8 |
N3—C7—C8 | 123.3 (9) | C26—C27—H27 | 120.8 |
N3—C7—H7 | 118.3 | C29—C28—C27 | 119.4 (8) |
C8—C7—H7 | 118.3 | C29—C28—H28 | 120.3 |
C9—C8—C7 | 121.4 (10) | C27—C28—H28 | 120.3 |
C9—C8—H8 | 119.3 | C28—C29—C30 | 121.4 (8) |
C7—C8—H8 | 119.3 | C28—C29—H29 | 119.3 |
C8—C9—C10 | 115.6 (8) | C30—C29—H29 | 119.3 |
C8—C9—C12 | 118.8 (11) | C29—C30—C25 | 120.9 (8) |
C10—C9—C12 | 125.5 (12) | C29—C30—H30 | 119.5 |
C9—C10—C11 | 120.9 (9) | C25—C30—H30 | 119.5 |
C9—C10—H10 | 119.5 | F4—B1—F2 | 108.7 (10) |
C11—C10—H10 | 119.5 | F4—B1—F1 | 112.4 (10) |
N3—C11—C10 | 122.5 (8) | F2—B1—F1 | 108.1 (10) |
N3—C11—H11 | 118.8 | F4—B1—F3 | 109.2 (10) |
C10—C11—H11 | 118.8 | F2—B1—F3 | 108.8 (10) |
C12ii—C12—C9 | 135 (2) | F1—B1—F3 | 109.6 (10) |
C12ii—C12—H12 | 112.3 | F1'—B1'—F4' | 112.0 (12) |
C9—C12—H12 | 112.3 | F1'—B1'—F2' | 108.4 (11) |
C18—C13—C14 | 117.1 (8) | F4'—B1'—F2' | 109.1 (11) |
C18—C13—P1 | 124.4 (6) | F1'—B1'—F3' | 108.3 (11) |
C14—C13—P1 | 118.5 (6) | F4'—B1'—F3' | 109.0 (11) |
C13—C14—C15 | 121.2 (9) | F2'—B1'—F3' | 110.0 (11) |
C13—C14—H14 | 119.4 | ||
N3—Cu1—P1—C19 | 176.9 (3) | C12—C9—C10—C11 | 177.3 (8) |
N1—Cu1—P1—C19 | 46.0 (3) | C7—N3—C11—C10 | 2.1 (12) |
N2—Cu1—P1—C19 | −50.9 (3) | Cu1—N3—C11—C10 | −170.7 (6) |
N3—Cu1—P1—C13 | −62.1 (3) | C9—C10—C11—N3 | 1.0 (14) |
N1—Cu1—P1—C13 | 167.1 (3) | C8—C9—C12—C12ii | 170.4 (19) |
N2—Cu1—P1—C13 | 70.1 (3) | C10—C9—C12—C12ii | −11 (2) |
N3—Cu1—P1—C25 | 56.6 (3) | C19—P1—C13—C18 | 2.6 (7) |
N1—Cu1—P1—C25 | −74.2 (3) | C25—P1—C13—C18 | 111.1 (7) |
N2—Cu1—P1—C25 | −171.2 (3) | Cu1—P1—C13—C18 | −124.6 (6) |
N3—Cu1—N1—C1 | −60.3 (6) | C19—P1—C13—C14 | −177.7 (6) |
N2—Cu1—N1—C1 | −170.9 (6) | C25—P1—C13—C14 | −69.3 (6) |
P1—Cu1—N1—C1 | 73.5 (6) | Cu1—P1—C13—C14 | 55.1 (6) |
N3—Cu1—N1—C5 | 110.7 (5) | C18—C13—C14—C15 | 0.9 (12) |
N2—Cu1—N1—C5 | 0.1 (4) | P1—C13—C14—C15 | −178.9 (7) |
P1—Cu1—N1—C5 | −115.5 (4) | C13—C14—C15—C16 | −2.5 (14) |
N3—Cu1—N2—C6 | −105.5 (5) | C14—C15—C16—C17 | 2.8 (15) |
N1—Cu1—N2—C6 | −4.8 (5) | C15—C16—C17—C18 | −1.4 (15) |
P1—Cu1—N2—C6 | 122.4 (4) | C14—C13—C18—C17 | 0.5 (11) |
N3—Cu1—N2—N2i | 84.6 (7) | P1—C13—C18—C17 | −179.8 (6) |
N1—Cu1—N2—N2i | −174.8 (8) | C16—C17—C18—C13 | −0.3 (14) |
P1—Cu1—N2—N2i | −47.6 (8) | C13—P1—C19—C20 | −94.4 (7) |
N1—Cu1—N3—C11 | −117.4 (6) | C25—P1—C19—C20 | 157.4 (7) |
N2—Cu1—N3—C11 | −34.0 (7) | Cu1—P1—C19—C20 | 31.9 (7) |
P1—Cu1—N3—C11 | 100.5 (6) | C13—P1—C19—C24 | 85.2 (8) |
N1—Cu1—N3—C7 | 70.1 (6) | C25—P1—C19—C24 | −23.0 (8) |
N2—Cu1—N3—C7 | 153.5 (6) | Cu1—P1—C19—C24 | −148.5 (7) |
P1—Cu1—N3—C7 | −72.1 (6) | C24—C19—C20—C21 | −0.7 (14) |
C5—N1—C1—C2 | −0.1 (11) | P1—C19—C20—C21 | 178.9 (8) |
Cu1—N1—C1—C2 | 170.6 (6) | C19—C20—C21—C22 | −1.2 (18) |
N1—C1—C2—C3 | 0.7 (13) | C20—C21—C22—C23 | 4 (2) |
C1—C2—C3—C4 | 0.8 (13) | C21—C22—C23—C24 | −6 (2) |
C2—C3—C4—C5 | −2.8 (13) | C22—C23—C24—C19 | 3.7 (18) |
C1—N1—C5—C4 | −2.0 (10) | C20—C19—C24—C23 | −0.7 (15) |
Cu1—N1—C5—C4 | −174.1 (6) | P1—C19—C24—C23 | 179.7 (8) |
C1—N1—C5—C6 | 176.3 (6) | C19—P1—C25—C26 | −92.7 (7) |
Cu1—N1—C5—C6 | 4.2 (7) | C13—P1—C25—C26 | 158.5 (6) |
C3—C4—C5—N1 | 3.5 (12) | Cu1—P1—C25—C26 | 33.9 (7) |
C3—C4—C5—C6 | −174.7 (7) | C19—P1—C25—C30 | 85.2 (8) |
N2i—N2—C6—C5 | −179.2 (6) | C13—P1—C25—C30 | −23.5 (8) |
Cu1—N2—C6—C5 | 8.8 (8) | Cu1—P1—C25—C30 | −148.2 (7) |
N1—C5—C6—N2 | −9.1 (10) | C30—C25—C26—C27 | −2.4 (12) |
C4—C5—C6—N2 | 169.2 (7) | P1—C25—C26—C27 | 175.7 (6) |
C11—N3—C7—C8 | −2.1 (13) | C25—C26—C27—C28 | 1.5 (13) |
Cu1—N3—C7—C8 | 171.0 (7) | C26—C27—C28—C29 | 0.2 (15) |
N3—C7—C8—C9 | −1.0 (15) | C27—C28—C29—C30 | −0.8 (17) |
C7—C8—C9—C10 | 4.0 (14) | C28—C29—C30—C25 | −0.2 (17) |
C7—C8—C9—C12 | −177.2 (9) | C26—C25—C30—C29 | 1.7 (14) |
C8—C9—C10—C11 | −3.9 (13) | P1—C25—C30—C29 | −176.3 (8) |
Symmetry codes: (i) −x+1, −y+2, −z+2; (ii) −x+2, −y+2, −z+1. |