Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680605149X/bi2107sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680605149X/bi2107Isup2.hkl |
CCDC reference: 633618
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
[Cu2(C10H8N2)(C12H8N2)2(C18H15P)2](BF4)2 | F(000) = 1372 |
Mr = 1341.83 | Dx = 1.409 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 885 reflections |
a = 14.192 (7) Å | θ = 2.4–22.2° |
b = 15.372 (7) Å | µ = 0.79 mm−1 |
c = 14.515 (6) Å | T = 293 K |
β = 92.495 (9)° | Block, brown |
V = 3164 (2) Å3 | 0.26 × 0.20 × 0.16 mm |
Z = 2 |
Bruker SMART CCD diffractometer | 6518 independent reflections |
Radiation source: fine-focus sealed tube | 3572 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.058 |
φ and ω scans | θmax = 26.5°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −17→17 |
Tmin = 0.850, Tmax = 0.880 | k = −19→17 |
17926 measured reflections | l = −13→18 |
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)] = 0.058 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.163 | H-atom parameters constrained |
S = 1.00 | w = 1/[σ2(Fo2) + (0.0746P)2 + 1.4838P] where P = (Fo2 + 2Fc2)/3 |
6518 reflections | (Δ/σ)max = 0.003 |
406 parameters | Δρmax = 0.78 e Å−3 |
0 restraints | Δρmin = −0.39 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 | ||
Cu1 | 0.84510 (4) | 0.18547 (3) | 0.61886 (4) | 0.04451 (19) | |
P1 | 0.72864 (8) | 0.22427 (7) | 0.70523 (8) | 0.0441 (3) | |
N1 | 0.8246 (3) | 0.0785 (2) | 0.5380 (2) | 0.0473 (9) | |
N2 | 0.9533 (2) | 0.1068 (2) | 0.6760 (3) | 0.0476 (9) | |
N3 | 0.9052 (2) | 0.2946 (2) | 0.5637 (2) | 0.0450 (9) | |
C1 | 0.7596 (4) | 0.0646 (4) | 0.4717 (3) | 0.0728 (15) | |
H1 | 0.7193 | 0.1099 | 0.4540 | 0.087* | |
C2 | 0.7492 (5) | −0.0153 (5) | 0.4275 (4) | 0.100 (2) | |
H2 | 0.7021 | −0.0232 | 0.3816 | 0.120* | |
C3 | 0.8075 (6) | −0.0809 (5) | 0.4515 (5) | 0.105 (3) | |
H3 | 0.8009 | −0.1341 | 0.4214 | 0.126* | |
C4 | 0.8776 (4) | −0.0708 (3) | 0.5206 (4) | 0.0724 (17) | |
C5 | 0.9435 (6) | −0.1358 (4) | 0.5506 (6) | 0.101 (3) | |
H5 | 0.9400 | −0.1904 | 0.5232 | 0.121* | |
C6 | 1.0094 (5) | −0.1214 (4) | 0.6157 (6) | 0.102 (3) | |
H6 | 1.0526 | −0.1650 | 0.6314 | 0.122* | |
C7 | 1.0151 (4) | −0.0401 (4) | 0.6622 (4) | 0.0723 (17) | |
C8 | 1.0805 (4) | −0.0218 (5) | 0.7342 (5) | 0.096 (2) | |
H8 | 1.1232 | −0.0643 | 0.7544 | 0.115* | |
C9 | 1.0820 (4) | 0.0568 (6) | 0.7743 (5) | 0.093 (2) | |
H9 | 1.1255 | 0.0690 | 0.8223 | 0.111* | |
C10 | 1.0175 (3) | 0.1202 (4) | 0.7432 (4) | 0.0670 (14) | |
H10 | 1.0199 | 0.1746 | 0.7712 | 0.080* | |
C11 | 0.9512 (3) | 0.0266 (3) | 0.6350 (3) | 0.0503 (12) | |
C12 | 0.8824 (3) | 0.0113 (3) | 0.5629 (3) | 0.0497 (12) | |
C13 | 0.9869 (3) | 0.3240 (3) | 0.5990 (4) | 0.0569 (12) | |
H13 | 1.0198 | 0.2894 | 0.6420 | 0.068* | |
C14 | 1.0258 (3) | 0.4027 (3) | 0.5758 (3) | 0.0540 (12) | |
H14 | 1.0837 | 0.4193 | 0.6027 | 0.065* | |
C15 | 0.9799 (3) | 0.4567 (2) | 0.5133 (3) | 0.0396 (10) | |
C16 | 0.8957 (3) | 0.4258 (3) | 0.4763 (3) | 0.0650 (14) | |
H16 | 0.8615 | 0.4589 | 0.4329 | 0.078* | |
C17 | 0.8615 (4) | 0.3457 (3) | 0.5029 (4) | 0.0656 (14) | |
H17 | 0.8043 | 0.3269 | 0.4763 | 0.079* | |
C18 | 0.6229 (3) | 0.1576 (3) | 0.7100 (3) | 0.0509 (11) | |
C19 | 0.6280 (4) | 0.0705 (3) | 0.6881 (4) | 0.0690 (14) | |
H19 | 0.6838 | 0.0473 | 0.6675 | 0.083* | |
C20 | 0.5499 (5) | 0.0174 (4) | 0.6968 (5) | 0.100 (2) | |
H20 | 0.5539 | −0.0417 | 0.6834 | 0.120* | |
C21 | 0.4681 (5) | 0.0510 (5) | 0.7246 (5) | 0.102 (2) | |
H21 | 0.4161 | 0.0149 | 0.7304 | 0.123* | |
C22 | 0.4611 (4) | 0.1373 (5) | 0.7442 (4) | 0.092 (2) | |
H22 | 0.4041 | 0.1600 | 0.7625 | 0.111* | |
C23 | 0.5376 (3) | 0.1908 (4) | 0.7370 (4) | 0.0701 (15) | |
H23 | 0.5322 | 0.2497 | 0.7503 | 0.084* | |
C24 | 0.7702 (3) | 0.2359 (3) | 0.8251 (3) | 0.0494 (11) | |
C25 | 0.7269 (4) | 0.1995 (3) | 0.8988 (4) | 0.0644 (14) | |
H25 | 0.6687 | 0.1722 | 0.8900 | 0.077* | |
C26 | 0.7705 (5) | 0.2034 (4) | 0.9870 (4) | 0.0865 (19) | |
H26 | 0.7412 | 0.1778 | 1.0362 | 0.104* | |
C27 | 0.8534 (5) | 0.2434 (4) | 1.0018 (5) | 0.093 (2) | |
H27 | 0.8806 | 0.2466 | 1.0612 | 0.112* | |
C28 | 0.8985 (5) | 0.2798 (4) | 0.9293 (5) | 0.0874 (18) | |
H28 | 0.9564 | 0.3074 | 0.9393 | 0.105* | |
C29 | 0.8576 (4) | 0.2751 (3) | 0.8421 (4) | 0.0675 (14) | |
H29 | 0.8890 | 0.2987 | 0.7931 | 0.081* | |
C30 | 0.6806 (3) | 0.3289 (3) | 0.6666 (3) | 0.0474 (11) | |
C31 | 0.7023 (3) | 0.4066 (3) | 0.7095 (3) | 0.0579 (12) | |
H31 | 0.7368 | 0.4066 | 0.7654 | 0.069* | |
C32 | 0.6733 (4) | 0.4851 (3) | 0.6703 (5) | 0.0768 (16) | |
H32 | 0.6882 | 0.5373 | 0.6999 | 0.092* | |
C33 | 0.6228 (4) | 0.4855 (4) | 0.5883 (5) | 0.0854 (18) | |
H33 | 0.6040 | 0.5379 | 0.5614 | 0.102* | |
C34 | 0.5998 (4) | 0.4083 (5) | 0.5454 (5) | 0.0907 (19) | |
H34 | 0.5643 | 0.4084 | 0.4900 | 0.109* | |
C35 | 0.6292 (4) | 0.3308 (3) | 0.5845 (4) | 0.0736 (15) | |
H35 | 0.6140 | 0.2788 | 0.5547 | 0.088* | |
B1 | 0.6996 (5) | 0.2007 (5) | 0.2675 (6) | 0.080 (2) | |
F1 | 0.6244 (4) | 0.1931 (4) | 0.3168 (4) | 0.194 (3) | |
F2 | 0.7778 (4) | 0.2170 (3) | 0.3161 (4) | 0.159 (2) | |
F3 | 0.7113 (3) | 0.1178 (3) | 0.2326 (4) | 0.1578 (19) | |
F4 | 0.6833 (3) | 0.2545 (2) | 0.1956 (2) | 0.1069 (12) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0474 (3) | 0.0311 (3) | 0.0552 (4) | −0.0012 (2) | 0.0047 (2) | 0.0003 (2) |
P1 | 0.0461 (7) | 0.0335 (6) | 0.0530 (7) | −0.0005 (5) | 0.0065 (5) | −0.0021 (5) |
N1 | 0.054 (2) | 0.044 (2) | 0.044 (2) | −0.0073 (18) | 0.0078 (18) | −0.0001 (17) |
N2 | 0.040 (2) | 0.050 (2) | 0.053 (2) | −0.0025 (17) | 0.0028 (18) | 0.0078 (18) |
N3 | 0.044 (2) | 0.035 (2) | 0.056 (2) | −0.0041 (16) | 0.0059 (18) | 0.0051 (16) |
C1 | 0.082 (4) | 0.079 (4) | 0.057 (3) | −0.023 (3) | −0.003 (3) | −0.001 (3) |
C2 | 0.129 (6) | 0.102 (5) | 0.067 (4) | −0.047 (5) | −0.005 (4) | −0.028 (4) |
C3 | 0.159 (8) | 0.068 (4) | 0.091 (5) | −0.061 (5) | 0.052 (5) | −0.038 (4) |
C4 | 0.102 (5) | 0.037 (3) | 0.081 (4) | −0.022 (3) | 0.047 (4) | −0.012 (3) |
C5 | 0.144 (7) | 0.026 (3) | 0.140 (7) | 0.009 (4) | 0.097 (6) | 0.005 (4) |
C6 | 0.101 (6) | 0.056 (4) | 0.155 (8) | 0.032 (4) | 0.086 (5) | 0.041 (5) |
C7 | 0.068 (4) | 0.061 (4) | 0.091 (4) | 0.022 (3) | 0.041 (3) | 0.032 (3) |
C8 | 0.063 (4) | 0.116 (6) | 0.111 (6) | 0.031 (4) | 0.023 (4) | 0.056 (5) |
C9 | 0.051 (4) | 0.142 (7) | 0.084 (5) | 0.013 (4) | −0.010 (3) | 0.035 (5) |
C10 | 0.047 (3) | 0.083 (4) | 0.071 (4) | −0.004 (3) | 0.000 (3) | 0.012 (3) |
C11 | 0.051 (3) | 0.037 (3) | 0.065 (3) | 0.006 (2) | 0.026 (2) | 0.016 (2) |
C12 | 0.061 (3) | 0.033 (2) | 0.057 (3) | −0.006 (2) | 0.028 (2) | 0.002 (2) |
C13 | 0.051 (3) | 0.039 (3) | 0.080 (3) | 0.001 (2) | −0.007 (2) | 0.013 (2) |
C14 | 0.047 (3) | 0.041 (3) | 0.073 (3) | −0.009 (2) | −0.010 (2) | 0.008 (2) |
C15 | 0.041 (2) | 0.035 (2) | 0.043 (2) | −0.0015 (18) | 0.006 (2) | 0.0012 (19) |
C16 | 0.059 (3) | 0.058 (3) | 0.076 (3) | −0.020 (2) | −0.019 (3) | 0.031 (3) |
C17 | 0.059 (3) | 0.059 (3) | 0.077 (4) | −0.022 (3) | −0.015 (3) | 0.014 (3) |
C18 | 0.052 (3) | 0.045 (3) | 0.055 (3) | −0.007 (2) | 0.001 (2) | 0.003 (2) |
C19 | 0.063 (3) | 0.050 (3) | 0.094 (4) | −0.008 (3) | 0.001 (3) | 0.007 (3) |
C20 | 0.080 (5) | 0.057 (4) | 0.162 (7) | −0.024 (3) | −0.014 (4) | 0.023 (4) |
C21 | 0.071 (5) | 0.101 (6) | 0.132 (6) | −0.040 (4) | −0.023 (4) | 0.049 (5) |
C22 | 0.055 (4) | 0.128 (6) | 0.095 (5) | −0.004 (4) | 0.014 (3) | 0.035 (4) |
C23 | 0.055 (3) | 0.071 (4) | 0.086 (4) | 0.001 (3) | 0.021 (3) | 0.002 (3) |
C24 | 0.056 (3) | 0.040 (3) | 0.053 (3) | 0.009 (2) | 0.003 (2) | −0.007 (2) |
C25 | 0.066 (3) | 0.065 (3) | 0.062 (3) | 0.008 (3) | 0.008 (3) | 0.003 (3) |
C26 | 0.125 (6) | 0.079 (4) | 0.056 (4) | 0.022 (4) | 0.007 (4) | 0.002 (3) |
C27 | 0.108 (5) | 0.093 (5) | 0.075 (5) | 0.021 (4) | −0.033 (4) | −0.027 (4) |
C28 | 0.087 (4) | 0.088 (4) | 0.086 (5) | −0.002 (4) | −0.013 (4) | −0.017 (4) |
C29 | 0.070 (4) | 0.068 (3) | 0.064 (4) | −0.006 (3) | −0.002 (3) | −0.009 (3) |
C30 | 0.046 (3) | 0.040 (3) | 0.057 (3) | 0.0036 (19) | 0.006 (2) | 0.003 (2) |
C31 | 0.066 (3) | 0.043 (3) | 0.065 (3) | 0.006 (2) | 0.001 (3) | 0.002 (2) |
C32 | 0.080 (4) | 0.040 (3) | 0.111 (5) | 0.007 (3) | 0.010 (4) | 0.004 (3) |
C33 | 0.077 (4) | 0.064 (4) | 0.116 (5) | 0.019 (3) | 0.013 (4) | 0.034 (4) |
C34 | 0.087 (4) | 0.092 (5) | 0.091 (5) | 0.014 (4) | −0.015 (4) | 0.022 (4) |
C35 | 0.083 (4) | 0.059 (3) | 0.078 (4) | 0.011 (3) | −0.014 (3) | 0.008 (3) |
B1 | 0.065 (4) | 0.086 (6) | 0.089 (5) | 0.021 (4) | −0.002 (4) | 0.025 (4) |
F1 | 0.142 (4) | 0.269 (7) | 0.176 (5) | 0.088 (4) | 0.069 (4) | 0.135 (5) |
F2 | 0.148 (4) | 0.134 (4) | 0.186 (5) | −0.038 (3) | −0.088 (4) | 0.028 (3) |
F3 | 0.149 (4) | 0.106 (4) | 0.214 (5) | 0.014 (3) | −0.047 (4) | 0.011 (3) |
F4 | 0.106 (3) | 0.112 (3) | 0.103 (3) | 0.028 (2) | 0.011 (2) | 0.049 (2) |
Cu1—N1 | 2.033 (4) | C16—H16 | 0.930 |
Cu1—N3 | 2.060 (3) | C17—H17 | 0.930 |
Cu1—N2 | 2.096 (4) | C18—C19 | 1.379 (6) |
Cu1—P1 | 2.1999 (14) | C18—C23 | 1.386 (6) |
P1—C24 | 1.822 (5) | C19—C20 | 1.387 (7) |
P1—C18 | 1.821 (5) | C19—H19 | 0.930 |
P1—C30 | 1.826 (4) | C20—C21 | 1.347 (9) |
N1—C1 | 1.322 (6) | C20—H20 | 0.930 |
N1—C12 | 1.358 (5) | C21—C22 | 1.362 (9) |
N2—C10 | 1.322 (6) | C21—H21 | 0.9300 |
N2—C11 | 1.369 (6) | C22—C23 | 1.369 (8) |
N3—C17 | 1.316 (6) | C22—H22 | 0.930 |
N3—C13 | 1.325 (5) | C23—H23 | 0.930 |
C1—C2 | 1.391 (8) | C24—C25 | 1.375 (6) |
C1—H1 | 0.930 | C24—C29 | 1.391 (7) |
C2—C3 | 1.340 (10) | C25—C26 | 1.398 (8) |
C2—H2 | 0.930 | C25—H25 | 0.930 |
C3—C4 | 1.391 (9) | C26—C27 | 1.338 (9) |
C3—H3 | 0.930 | C26—H26 | 0.930 |
C4—C12 | 1.405 (6) | C27—C28 | 1.374 (9) |
C4—C5 | 1.423 (9) | C27—H27 | 0.930 |
C5—C6 | 1.319 (9) | C28—C29 | 1.372 (8) |
C5—H5 | 0.930 | C28—H28 | 0.930 |
C6—C7 | 1.420 (9) | C29—H29 | 0.930 |
C6—H6 | 0.930 | C30—C35 | 1.370 (7) |
C7—C8 | 1.395 (9) | C30—C31 | 1.376 (6) |
C7—C11 | 1.414 (6) | C31—C32 | 1.389 (7) |
C8—C9 | 1.341 (9) | C31—H31 | 0.930 |
C8—H8 | 0.930 | C32—C33 | 1.362 (8) |
C9—C10 | 1.398 (8) | C32—H32 | 0.930 |
C9—H9 | 0.930 | C33—C34 | 1.372 (8) |
C10—H10 | 0.930 | C33—H33 | 0.930 |
C11—C12 | 1.420 (6) | C34—C35 | 1.377 (7) |
C13—C14 | 1.378 (6) | C34—H34 | 0.930 |
C13—H13 | 0.930 | C35—H35 | 0.930 |
C14—C15 | 1.373 (6) | B1—F2 | 1.313 (8) |
C14—H14 | 0.930 | B1—F1 | 1.317 (8) |
C15—C16 | 1.374 (6) | B1—F4 | 1.344 (7) |
C15—C15i | 1.504 (8) | B1—F3 | 1.383 (9) |
C16—C17 | 1.385 (6) | ||
N1—Cu1—N3 | 119.04 (14) | C15—C16—C17 | 120.5 (4) |
N1—Cu1—N2 | 81.13 (15) | C15—C16—H16 | 119.7 |
N3—Cu1—N2 | 108.35 (14) | C17—C16—H16 | 119.7 |
N1—Cu1—P1 | 117.14 (10) | N3—C17—C16 | 123.8 (5) |
N3—Cu1—P1 | 109.56 (10) | N3—C17—H17 | 118.1 |
N2—Cu1—P1 | 119.09 (11) | C16—C17—H17 | 118.1 |
C24—P1—C18 | 104.6 (2) | C19—C18—C23 | 118.5 (5) |
C24—P1—C30 | 107.9 (2) | C19—C18—P1 | 119.1 (4) |
C18—P1—C30 | 102.2 (2) | C23—C18—P1 | 122.4 (4) |
C24—P1—Cu1 | 110.55 (15) | C18—C19—C20 | 120.1 (5) |
C18—P1—Cu1 | 120.67 (16) | C18—C19—H19 | 120.0 |
C30—P1—Cu1 | 110.08 (15) | C20—C19—H19 | 120.0 |
C1—N1—C12 | 117.7 (4) | C21—C20—C19 | 120.2 (6) |
C1—N1—Cu1 | 129.0 (4) | C21—C20—H20 | 119.9 |
C12—N1—Cu1 | 113.1 (3) | C19—C20—H20 | 119.9 |
C10—N2—C11 | 117.5 (4) | C20—C21—C22 | 120.5 (6) |
C10—N2—Cu1 | 132.2 (3) | C20—C21—H21 | 119.7 |
C11—N2—Cu1 | 110.3 (3) | C22—C21—H21 | 119.7 |
C17—N3—C13 | 115.8 (4) | C21—C22—C23 | 120.3 (6) |
C17—N3—Cu1 | 123.7 (3) | C21—C22—H22 | 119.9 |
C13—N3—Cu1 | 119.8 (3) | C23—C22—H22 | 119.9 |
N1—C1—C2 | 122.4 (6) | C22—C23—C18 | 120.4 (5) |
N1—C1—H1 | 118.8 | C22—C23—H23 | 119.8 |
C2—C1—H1 | 118.8 | C18—C23—H23 | 119.8 |
C3—C2—C1 | 119.5 (6) | C25—C24—C29 | 117.6 (5) |
C3—C2—H2 | 120.3 | C25—C24—P1 | 124.5 (4) |
C1—C2—H2 | 120.3 | C29—C24—P1 | 117.4 (4) |
C2—C3—C4 | 121.2 (6) | C24—C25—C26 | 119.9 (5) |
C2—C3—H3 | 119.4 | C24—C25—H25 | 120.0 |
C4—C3—H3 | 119.4 | C26—C25—H25 | 120.0 |
C3—C4—C12 | 115.8 (6) | C27—C26—C25 | 121.3 (6) |
C3—C4—C5 | 125.7 (6) | C27—C26—H26 | 119.4 |
C12—C4—C5 | 118.6 (6) | C25—C26—H26 | 119.4 |
C6—C5—C4 | 122.5 (7) | C26—C27—C28 | 120.0 (6) |
C6—C5—H5 | 118.7 | C26—C27—H27 | 120.0 |
C4—C5—H5 | 118.7 | C28—C27—H27 | 120.0 |
C5—C6—C7 | 120.8 (7) | C29—C28—C27 | 119.5 (6) |
C5—C6—H6 | 119.6 | C29—C28—H28 | 120.2 |
C7—C6—H6 | 119.6 | C27—C28—H28 | 120.2 |
C8—C7—C11 | 117.4 (6) | C28—C29—C24 | 121.7 (6) |
C8—C7—C6 | 123.7 (6) | C28—C29—H29 | 119.2 |
C11—C7—C6 | 118.9 (6) | C24—C29—H29 | 119.2 |
C9—C8—C7 | 120.3 (6) | C35—C30—C31 | 118.3 (4) |
C9—C8—H8 | 119.9 | C35—C30—P1 | 117.6 (4) |
C7—C8—H8 | 119.9 | C31—C30—P1 | 123.6 (4) |
C8—C9—C10 | 119.4 (6) | C30—C31—C32 | 120.9 (5) |
C8—C9—H9 | 120.3 | C30—C31—H31 | 119.6 |
C10—C9—H9 | 120.3 | C32—C31—H31 | 119.6 |
N2—C10—C9 | 123.4 (6) | C33—C32—C31 | 119.8 (5) |
N2—C10—H10 | 118.3 | C33—C32—H32 | 120.1 |
C9—C10—H10 | 118.3 | C31—C32—H32 | 120.1 |
N2—C11—C7 | 122.1 (5) | C32—C33—C34 | 119.9 (5) |
N2—C11—C12 | 118.0 (4) | C32—C33—H33 | 120.0 |
C7—C11—C12 | 119.8 (5) | C34—C33—H33 | 120.0 |
N1—C12—C4 | 123.4 (5) | C33—C34—C35 | 119.9 (6) |
N1—C12—C11 | 117.3 (4) | C33—C34—H34 | 120.0 |
C4—C12—C11 | 119.3 (5) | C35—C34—H34 | 120.0 |
N3—C13—C14 | 123.8 (4) | C30—C35—C34 | 121.2 (5) |
N3—C13—H13 | 118.1 | C30—C35—H35 | 119.4 |
C14—C13—H13 | 118.1 | C34—C35—H35 | 119.4 |
C15—C14—C13 | 120.6 (4) | F2—B1—F1 | 114.2 (7) |
C15—C14—H14 | 119.7 | F2—B1—F4 | 114.4 (7) |
C13—C14—H14 | 119.7 | F1—B1—F4 | 111.1 (5) |
C14—C15—C16 | 115.4 (4) | F2—B1—F3 | 105.1 (5) |
C14—C15—C15i | 122.1 (5) | F1—B1—F3 | 103.4 (7) |
C16—C15—C15i | 122.6 (5) | F4—B1—F3 | 107.6 (6) |
N1—Cu1—P1—C24 | 127.1 (2) | C3—C4—C12—C11 | 179.2 (4) |
N3—Cu1—P1—C24 | −93.35 (19) | C5—C4—C12—C11 | −1.1 (6) |
N2—Cu1—P1—C24 | 32.1 (2) | N2—C11—C12—N1 | 1.7 (5) |
N1—Cu1—P1—C18 | 4.8 (2) | C7—C11—C12—N1 | −178.2 (4) |
N3—Cu1—P1—C18 | 144.3 (2) | N2—C11—C12—C4 | −179.0 (4) |
N2—Cu1—P1—C18 | −90.2 (2) | C7—C11—C12—C4 | 1.1 (6) |
N1—Cu1—P1—C30 | −113.7 (2) | C17—N3—C13—C14 | 0.3 (7) |
N3—Cu1—P1—C30 | 25.8 (2) | Cu1—N3—C13—C14 | −170.4 (4) |
N2—Cu1—P1—C30 | 151.3 (2) | N3—C13—C14—C15 | 0.5 (7) |
N3—Cu1—N1—C1 | −75.7 (4) | C13—C14—C15—C16 | −1.0 (7) |
N2—Cu1—N1—C1 | 178.2 (4) | C13—C14—C15—C15i | 179.7 (5) |
P1—Cu1—N1—C1 | 60.0 (4) | C14—C15—C16—C17 | 0.8 (7) |
N3—Cu1—N1—C12 | 110.2 (3) | C15i—C15—C16—C17 | 180.0 (5) |
N2—Cu1—N1—C12 | 4.1 (3) | C13—N3—C17—C16 | −0.6 (8) |
P1—Cu1—N1—C12 | −114.2 (3) | Cu1—N3—C17—C16 | 169.7 (4) |
N1—Cu1—N2—C10 | 179.3 (4) | C15—C16—C17—N3 | 0.0 (9) |
N3—Cu1—N2—C10 | 61.5 (4) | C24—P1—C18—C19 | −102.0 (4) |
P1—Cu1—N2—C10 | −64.5 (4) | C30—P1—C18—C19 | 145.6 (4) |
N1—Cu1—N2—C11 | −3.1 (3) | Cu1—P1—C18—C19 | 23.2 (5) |
N3—Cu1—N2—C11 | −120.9 (3) | C24—P1—C18—C23 | 76.6 (5) |
P1—Cu1—N2—C11 | 113.1 (3) | C30—P1—C18—C23 | −35.9 (5) |
N1—Cu1—N3—C17 | 71.9 (4) | Cu1—P1—C18—C23 | −158.3 (4) |
N2—Cu1—N3—C17 | 161.8 (4) | C23—C18—C19—C20 | −2.6 (8) |
P1—Cu1—N3—C17 | −66.7 (4) | P1—C18—C19—C20 | 176.0 (5) |
N1—Cu1—N3—C13 | −118.1 (3) | C18—C19—C20—C21 | 1.6 (10) |
N2—Cu1—N3—C13 | −28.2 (4) | C19—C20—C21—C22 | 0.2 (11) |
P1—Cu1—N3—C13 | 103.2 (3) | C20—C21—C22—C23 | −0.9 (10) |
C12—N1—C1—C2 | −0.2 (7) | C21—C22—C23—C18 | −0.2 (9) |
Cu1—N1—C1—C2 | −174.2 (4) | C19—C18—C23—C22 | 1.9 (8) |
N1—C1—C2—C3 | −0.8 (10) | P1—C18—C23—C22 | −176.6 (4) |
C1—C2—C3—C4 | 0.7 (10) | C18—P1—C24—C25 | 0.4 (4) |
C2—C3—C4—C12 | 0.4 (9) | C30—P1—C24—C25 | 108.6 (4) |
C2—C3—C4—C5 | −179.3 (6) | Cu1—P1—C24—C25 | −131.0 (4) |
C3—C4—C5—C6 | 178.9 (6) | C18—P1—C24—C29 | 172.1 (4) |
C12—C4—C5—C6 | −0.8 (9) | C30—P1—C24—C29 | −79.7 (4) |
C4—C5—C6—C7 | 2.6 (10) | Cu1—P1—C24—C29 | 40.8 (4) |
C5—C6—C7—C8 | 177.4 (6) | C29—C24—C25—C26 | 0.6 (7) |
C5—C6—C7—C11 | −2.5 (8) | P1—C24—C25—C26 | 172.3 (4) |
C11—C7—C8—C9 | −0.6 (8) | C24—C25—C26—C27 | 1.1 (8) |
C6—C7—C8—C9 | 179.5 (6) | C25—C26—C27—C28 | −1.5 (9) |
C7—C8—C9—C10 | −0.1 (9) | C26—C27—C28—C29 | 0.3 (10) |
C11—N2—C10—C9 | −0.5 (7) | C27—C28—C29—C24 | 1.4 (9) |
Cu1—N2—C10—C9 | 177.0 (4) | C25—C24—C29—C28 | −1.8 (8) |
C8—C9—C10—N2 | 0.7 (9) | P1—C24—C29—C28 | −174.1 (4) |
C10—N2—C11—C7 | −0.3 (6) | C24—P1—C30—C35 | −167.8 (4) |
Cu1—N2—C11—C7 | −178.3 (3) | C18—P1—C30—C35 | −57.9 (4) |
C10—N2—C11—C12 | 179.8 (4) | Cu1—P1—C30—C35 | 71.5 (4) |
Cu1—N2—C11—C12 | 1.8 (4) | C24—P1—C30—C31 | 20.1 (4) |
C8—C7—C11—N2 | 0.9 (7) | C18—P1—C30—C31 | 130.0 (4) |
C6—C7—C11—N2 | −179.3 (4) | Cu1—P1—C30—C31 | −100.7 (4) |
C8—C7—C11—C12 | −179.2 (4) | C35—C30—C31—C32 | −0.4 (7) |
C6—C7—C11—C12 | 0.7 (6) | P1—C30—C31—C32 | 171.7 (4) |
C1—N1—C12—C4 | 1.4 (6) | C30—C31—C32—C33 | −0.1 (8) |
Cu1—N1—C12—C4 | 176.3 (3) | C31—C32—C33—C34 | 0.9 (9) |
C1—N1—C12—C11 | −179.2 (4) | C32—C33—C34—C35 | −1.2 (10) |
Cu1—N1—C12—C11 | −4.4 (4) | C31—C30—C35—C34 | 0.1 (8) |
C3—C4—C12—N1 | −1.5 (7) | P1—C30—C35—C34 | −172.5 (5) |
C5—C4—C12—N1 | 178.2 (4) | C33—C34—C35—C30 | 0.7 (9) |
Symmetry code: (i) −x+2, −y+1, −z+1. |