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metal-organic compounds
The crystal structure of [CuCl2(C27H17N5)], which was reported as a 1/4 hydrate [Wang, Chao, Li, Hong, Ji & Li (2004). J. Inorg. Biochem. 98, 423-429], has been rerefined as the anhydrous complex.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804013509/bt6465sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804013509/bt6465Isup2.hkl |
CCDC reference: 245133
Key indicators
- Single-crystal X-ray study
- T = 298 K
- R factor = 0.050
- wR factor = 0.136
- Data-to-parameter ratio = 17.0
checkCIF/PLATON results
No syntax errors found
Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75 Tmin and Tmax reported: 0.472 0.845 Tmin' and Tmax expected: 0.789 0.840 RR' = 0.595 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.59 PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density .... 4.27
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - Cl1 .. 8.31 su PLAT732_ALERT_1_C Angle Calc 108.57(4), Rep 108.60(10) ...... 2.50 su-Rat CL1 -CU1 -CL2 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: Atomic coordinates taken from published structure; program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
3-(1,10-Phenanthrolin-2-yl)-5,6-diphenyl-as-triazinedichlorocopper(II) top
Crystal data top
[Cu(C27H17N5)Cl2] | Z = 2 |
Mr = 545.90 | F(000) = 554 |
Triclinic, P1 | Dx = 1.515 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.320 (1) Å | Cell parameters from 1900 reflections |
b = 10.441 (1) Å | θ = 2.5–22.6° |
c = 11.793 (1) Å | µ = 1.16 mm−1 |
α = 98.878 (1)° | T = 298 K |
β = 90.545 (2)° | Prism, blue |
γ = 107.244 (1)° | 0.20 × 0.15 × 0.15 mm |
V = 1197.0 (2) Å3 |
Data collection top
Bruker SMART area-detector diffractometer | 5360 independent reflections |
Radiation source: fine-focus sealed tube | 3445 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.034 |
φ and ω scan | θmax = 27.5°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −13→12 |
Tmin = 0.472, Tmax = 0.845 | k = −13→13 |
10453 measured reflections | l = −15→15 |
Refinement top
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)] = 0.050 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.136 | H-atom parameters constrained |
S = 1.00 | w = 1/[σ2(Fo2) + (0.0702P)2] where P = (Fo2 + 2Fc2)/3 |
5360 reflections | (Δ/σ)max = 0.001 |
316 parameters | Δρmax = 1.11 e Å−3 |
0 restraints | Δρmin = −0.26 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Cu1 | 0.54285 (5) | 0.62780 (4) | 0.74972 (4) | 0.0378 (2) | |
Cl1 | 0.7387 (1) | 0.7223 (1) | 0.88098 (8) | 0.0461 (3) | |
Cl2 | 0.4985 (1) | 0.40463 (9) | 0.7156 (1) | 0.0532 (3) | |
N1 | 0.4049 (3) | 0.6418 (3) | 0.8773 (3) | 0.0388 (7) | |
N2 | 0.5157 (3) | 0.8029 (3) | 0.7347 (3) | 0.0375 (7) | |
N3 | 0.6456 (3) | 0.6799 (3) | 0.6012 (2) | 0.0378 (7) | |
N4 | 0.7204 (3) | 0.6113 (3) | 0.5408 (3) | 0.0397 (7) | |
N5 | 0.7233 (3) | 0.8652 (3) | 0.4994 (3) | 0.0399 (7) | |
C1 | 0.3515 (4) | 0.5601 (4) | 0.9505 (3) | 0.049 (1) | |
C2 | 0.2721 (5) | 0.5935 (5) | 1.0390 (4) | 0.057 (1) | |
C3 | 0.2504 (5) | 0.7191 (5) | 1.0538 (4) | 0.058 (1) | |
C4 | 0.3067 (4) | 0.8102 (4) | 0.9782 (3) | 0.046 (1) | |
C5 | 0.2944 (4) | 0.9435 (4) | 0.9847 (4) | 0.055 (1) | |
C6 | 0.3514 (4) | 1.0267 (4) | 0.9083 (4) | 0.053 (1) | |
C7 | 0.4272 (4) | 0.9816 (4) | 0.8175 (3) | 0.045 (1) | |
C8 | 0.4424 (4) | 0.8530 (4) | 0.8129 (3) | 0.039 (1) | |
C9 | 0.3828 (4) | 0.7650 (4) | 0.8921 (3) | 0.039 (1) | |
C10 | 0.4918 (5) | 1.0577 (4) | 0.7347 (4) | 0.052 (1) | |
C11 | 0.5662 (5) | 1.0054 (4) | 0.6546 (3) | 0.049 (1) | |
C12 | 0.5775 (4) | 0.8762 (4) | 0.6582 (3) | 0.039 (1) | |
C13 | 0.6543 (4) | 0.8045 (4) | 0.5808 (3) | 0.038 (1) | |
C14 | 0.7921 (4) | 0.7954 (4) | 0.4342 (3) | 0.038 (1) | |
C15 | 0.7952 (4) | 0.6671 (4) | 0.4603 (3) | 0.038 (1) | |
C16 | 0.8623 (4) | 0.8584 (4) | 0.3396 (3) | 0.040 (1) | |
C17 | 0.8652 (4) | 0.7832 (4) | 0.2325 (3) | 0.047 (1) | |
C18 | 0.9329 (4) | 0.8462 (5) | 0.1465 (3) | 0.054 (1) | |
C19 | 0.9995 (4) | 0.9837 (5) | 0.1677 (4) | 0.057 (1) | |
C20 | 0.9978 (4) | 1.0593 (5) | 0.2732 (4) | 0.053 (1) | |
C21 | 0.9268 (4) | 0.9968 (4) | 0.3590 (4) | 0.048 (1) | |
C22 | 0.8804 (4) | 0.5891 (4) | 0.4026 (3) | 0.041 (1) | |
C23 | 0.8230 (5) | 0.4522 (4) | 0.3615 (4) | 0.055 (1) | |
C24 | 0.9003 (6) | 0.3775 (5) | 0.3040 (4) | 0.067 (1) | |
C25 | 1.0346 (6) | 0.4386 (6) | 0.2894 (4) | 0.068 (1) | |
C26 | 1.0930 (5) | 0.5722 (5) | 0.3331 (4) | 0.066 (1) | |
C27 | 1.0154 (4) | 0.6473 (5) | 0.3883 (4) | 0.055 (1) | |
H1 | 0.3673 | 0.4761 | 0.9430 | 0.059* | |
H2 | 0.2342 | 0.5316 | 1.0875 | 0.068* | |
H3 | 0.1991 | 0.7433 | 1.1131 | 0.070* | |
H5 | 0.2458 | 0.9748 | 1.0429 | 0.066* | |
H6 | 0.3410 | 1.1130 | 0.9150 | 0.064* | |
H10 | 0.4841 | 1.1442 | 0.7341 | 0.062* | |
H11 | 0.6083 | 1.0551 | 0.5989 | 0.059* | |
H17 | 0.8214 | 0.6901 | 0.2187 | 0.056* | |
H18 | 0.9335 | 0.7961 | 0.0743 | 0.065* | |
H19 | 1.0463 | 1.0256 | 0.1098 | 0.068* | |
H20 | 1.0440 | 1.1519 | 0.2872 | 0.064* | |
H21 | 0.9226 | 1.0482 | 0.4299 | 0.057* | |
H23 | 0.7321 | 0.4100 | 0.3724 | 0.066* | |
H24 | 0.8609 | 0.2858 | 0.2753 | 0.080* | |
H25 | 1.0859 | 0.3887 | 0.2496 | 0.082* | |
H26 | 1.1851 | 0.6129 | 0.3257 | 0.079* | |
H27 | 1.0557 | 0.7391 | 0.4164 | 0.066* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0491 (3) | 0.0284 (2) | 0.0430 (3) | 0.0196 (2) | 0.0135 (2) | 0.0106 (2) |
Cl1 | 0.0487 (6) | 0.0407 (5) | 0.0486 (6) | 0.0149 (5) | 0.0070 (4) | 0.0032 (4) |
Cl2 | 0.0657 (7) | 0.0277 (5) | 0.0676 (7) | 0.0161 (5) | 0.0059 (5) | 0.0081 (5) |
N1 | 0.046 (2) | 0.036 (2) | 0.039 (2) | 0.018 (2) | 0.011 (1) | 0.011 (1) |
N2 | 0.047 (2) | 0.032 (2) | 0.040 (2) | 0.020 (1) | 0.018 (2) | 0.011 (1) |
N3 | 0.049 (2) | 0.033 (2) | 0.038 (2) | 0.020 (2) | 0.014 (1) | 0.009 (1) |
N4 | 0.053 (2) | 0.034 (2) | 0.039 (2) | 0.023 (2) | 0.013 (2) | 0.008 (1) |
N5 | 0.052 (2) | 0.034 (2) | 0.037 (2) | 0.016 (2) | 0.015 (2) | 0.012 (1) |
C1 | 0.058 (3) | 0.042 (2) | 0.051 (2) | 0.018 (2) | 0.014 (2) | 0.016 (2) |
C2 | 0.068 (3) | 0.055 (3) | 0.053 (3) | 0.021 (2) | 0.025 (2) | 0.022 (2) |
C3 | 0.061 (3) | 0.070 (3) | 0.050 (3) | 0.027 (2) | 0.027 (2) | 0.015 (2) |
C4 | 0.048 (2) | 0.052 (3) | 0.045 (2) | 0.024 (2) | 0.016 (2) | 0.011 (2) |
C5 | 0.060 (3) | 0.060 (3) | 0.056 (3) | 0.036 (2) | 0.024 (2) | 0.004 (2) |
C6 | 0.064 (3) | 0.045 (2) | 0.063 (3) | 0.036 (2) | 0.017 (2) | 0.006 (2) |
C7 | 0.055 (3) | 0.040 (2) | 0.048 (2) | 0.029 (2) | 0.012 (2) | 0.009 (2) |
C8 | 0.044 (2) | 0.038 (2) | 0.041 (2) | 0.023 (2) | 0.009 (2) | 0.006 (2) |
C9 | 0.045 (2) | 0.040 (2) | 0.039 (2) | 0.022 (2) | 0.013 (2) | 0.009 (2) |
C10 | 0.074 (3) | 0.037 (2) | 0.058 (3) | 0.032 (2) | 0.017 (2) | 0.016 (2) |
C11 | 0.074 (3) | 0.039 (2) | 0.048 (2) | 0.029 (2) | 0.019 (2) | 0.020 (2) |
C12 | 0.050 (2) | 0.031 (2) | 0.040 (2) | 0.020 (2) | 0.010 (2) | 0.007 (2) |
C13 | 0.049 (2) | 0.034 (2) | 0.038 (2) | 0.018 (2) | 0.012 (2) | 0.008 (2) |
C14 | 0.044 (2) | 0.036 (2) | 0.033 (2) | 0.013 (2) | 0.006 (2) | 0.003 (2) |
C15 | 0.046 (2) | 0.035 (2) | 0.032 (2) | 0.014 (2) | 0.004 (2) | 0.003 (2) |
C16 | 0.048 (2) | 0.044 (2) | 0.032 (2) | 0.018 (2) | 0.008 (2) | 0.010 (2) |
C17 | 0.052 (3) | 0.050 (2) | 0.037 (2) | 0.014 (2) | 0.005 (2) | 0.006 (2) |
C18 | 0.055 (3) | 0.070 (3) | 0.035 (2) | 0.017 (2) | 0.009 (2) | 0.009 (2) |
C19 | 0.052 (3) | 0.076 (3) | 0.053 (3) | 0.025 (2) | 0.019 (2) | 0.034 (2) |
C20 | 0.052 (3) | 0.048 (3) | 0.063 (3) | 0.014 (2) | 0.014 (2) | 0.021 (2) |
C21 | 0.058 (3) | 0.036 (2) | 0.049 (2) | 0.014 (2) | 0.012 (2) | 0.006 (2) |
C22 | 0.051 (2) | 0.044 (2) | 0.035 (2) | 0.025 (2) | 0.010 (2) | 0.007 (2) |
C23 | 0.057 (3) | 0.049 (3) | 0.066 (3) | 0.026 (2) | 0.008 (2) | 0.006 (2) |
C24 | 0.086 (4) | 0.060 (3) | 0.064 (3) | 0.043 (3) | 0.004 (3) | −0.004 (2) |
C25 | 0.087 (4) | 0.093 (4) | 0.050 (3) | 0.065 (3) | 0.024 (3) | 0.013 (3) |
C26 | 0.058 (3) | 0.079 (4) | 0.076 (3) | 0.038 (3) | 0.029 (3) | 0.028 (3) |
C27 | 0.056 (3) | 0.057 (3) | 0.059 (3) | 0.024 (2) | 0.014 (2) | 0.013 (2) |
Geometric parameters (Å, º) top
Cu1—N1 | 2.100 (3) | C16—C21 | 1.382 (5) |
Cu1—N2 | 1.963 (3) | C16—C17 | 1.387 (5) |
Cu1—N3 | 2.116 (3) | C17—C18 | 1.377 (5) |
Cu1—Cl1 | 2.396 (1) | C18—C19 | 1.377 (6) |
Cu1—Cl2 | 2.208 (1) | C19—C20 | 1.370 (6) |
N1—C1 | 1.317 (5) | C20—C21 | 1.386 (5) |
N1—C9 | 1.358 (4) | C22—C27 | 1.369 (6) |
N2—C12 | 1.320 (4) | C22—C23 | 1.381 (6) |
N2—C8 | 1.340 (4) | C23—C24 | 1.386 (6) |
N3—C13 | 1.337 (4) | C24—C25 | 1.367 (7) |
N3—N4 | 1.341 (4) | C25—C26 | 1.359 (7) |
N4—C15 | 1.325 (4) | C26—C27 | 1.380 (6) |
N5—C13 | 1.328 (4) | C1—H1 | 0.93 |
N5—C14 | 1.331 (4) | C2—H2 | 0.93 |
C1—C2 | 1.398 (6) | C3—H3 | 0.93 |
C2—C3 | 1.380 (6) | C5—H5 | 0.93 |
C3—C4 | 1.407 (6) | C6—H6 | 0.93 |
C4—C9 | 1.400 (5) | C10—H10 | 0.93 |
C4—C5 | 1.425 (5) | C11—H11 | 0.93 |
C5—C6 | 1.364 (6) | C17—H17 | 0.93 |
C6—C7 | 1.435 (5) | C18—H18 | 0.93 |
C7—C8 | 1.391 (5) | C19—H19 | 0.93 |
C7—C10 | 1.402 (5) | C20—H20 | 0.93 |
C8—C9 | 1.426 (5) | C21—H21 | 0.93 |
C10—C11 | 1.374 (5) | C23—H23 | 0.93 |
C11—C12 | 1.395 (5) | C24—H24 | 0.93 |
C12—C13 | 1.474 (5) | C25—H25 | 0.93 |
C14—C15 | 1.430 (5) | C26—H26 | 0.93 |
C14—C16 | 1.470 (5) | C27—H27 | 0.93 |
C15—C22 | 1.470 (5) | ||
N1—Cu1—N2 | 79.3 (1) | C14—C15—C22 | 123.6 (3) |
N1—Cu1—N3 | 154.5 (1) | C21—C16—C17 | 119.5 (4) |
N1—Cu1—Cl1 | 93.9 (1) | C21—C16—C14 | 118.5 (3) |
N1—Cu1—Cl2 | 98.8 (1) | C17—C16—C14 | 122.0 (4) |
N2—Cu1—N3 | 76.3 (1) | C18—C17—C16 | 120.0 (4) |
N2—Cu1—Cl1 | 95.5 (1) | C19—C18—C17 | 119.9 (4) |
N2—Cu1—Cl2 | 155.9 (1) | C20—C19—C18 | 120.8 (4) |
N3—Cu1—Cl1 | 95.8 (1) | C19—C20—C21 | 119.5 (4) |
N3—Cu1—Cl2 | 100.4 (1) | C16—C21—C20 | 120.3 (4) |
Cl1—Cu1—Cl2 | 108.6 (1) | C27—C22—C23 | 118.5 (4) |
C1—N1—C9 | 117.1 (3) | C27—C22—C15 | 122.3 (4) |
C1—N1—Cu1 | 131.2 (3) | C23—C22—C15 | 119.2 (4) |
C9—N1—Cu1 | 111.2 (2) | C22—C23—C24 | 120.2 (4) |
C12—N2—C8 | 120.2 (3) | C25—C24—C23 | 120.1 (5) |
C12—N2—Cu1 | 122.0 (2) | C26—C25—C24 | 120.0 (4) |
C8—N2—Cu1 | 117.5 (2) | C25—C26—C27 | 119.9 (5) |
C13—N3—N4 | 118.4 (3) | C22—C27—C26 | 121.2 (4) |
C13—N3—Cu1 | 114.6 (2) | N1—C1—H1 | 118.4 |
N4—N3—Cu1 | 125.9 (2) | C2—C1—H1 | 118.4 |
C15—N4—N3 | 118.8 (3) | C3—C2—H2 | 120.3 |
C13—N5—C14 | 116.3 (3) | C1—C2—H2 | 120.3 |
N1—C1—C2 | 123.2 (4) | C2—C3—H3 | 120.3 |
C3—C2—C1 | 119.4 (4) | C4—C3—H3 | 120.3 |
C2—C3—C4 | 119.4 (4) | C6—C5—H5 | 118.9 |
C9—C4—C3 | 116.2 (4) | C4—C5—H5 | 118.9 |
C9—C4—C5 | 118.6 (4) | C5—C6—H6 | 119.8 |
C3—C4—C5 | 125.3 (4) | C7—C6—H6 | 119.8 |
C6—C5—C4 | 122.3 (4) | C11—C10—H10 | 119.8 |
C5—C6—C7 | 120.3 (4) | C7—C10—H10 | 119.8 |
C8—C7—C10 | 116.7 (3) | C10—C11—H11 | 120.6 |
C8—C7—C6 | 117.5 (4) | C12—C11—H11 | 120.6 |
C10—C7—C6 | 125.7 (4) | C18—C17—H17 | 120.0 |
N2—C8—C7 | 122.5 (3) | C16—C17—H17 | 120.0 |
N2—C8—C9 | 114.8 (3) | C19—C18—H18 | 120.1 |
C7—C8—C9 | 122.6 (3) | C17—C18—H18 | 120.1 |
N1—C9—C4 | 124.8 (3) | C20—C19—H19 | 119.6 |
N1—C9—C8 | 116.5 (3) | C18—C19—H19 | 119.6 |
C4—C9—C8 | 118.7 (3) | C19—C20—H20 | 120.3 |
C11—C10—C7 | 120.4 (4) | C21—C20—H20 | 120.3 |
C10—C11—C12 | 118.7 (4) | C16—C21—H21 | 119.9 |
N2—C12—C11 | 121.4 (3) | C20—C21—H21 | 119.9 |
N2—C12—C13 | 112.2 (3) | C22—C23—H23 | 119.9 |
C11—C12—C13 | 126.4 (3) | C24—C23—H23 | 119.9 |
N5—C13—N3 | 126.1 (3) | C25—C24—H24 | 119.9 |
N5—C13—C12 | 119.6 (3) | C23—C24—H24 | 119.9 |
N3—C13—C12 | 114.3 (3) | C26—C25—H25 | 120.0 |
N5—C14—C15 | 119.1 (3) | C24—C25—H25 | 120.0 |
N5—C14—C16 | 116.6 (3) | C25—C26—H26 | 120.1 |
C15—C14—C16 | 124.3 (3) | C27—C26—H26 | 120.1 |
N4—C15—C14 | 120.9 (3) | C22—C27—H27 | 119.4 |
N4—C15—C22 | 115.5 (3) | C26—C27—H27 | 119.4 |
N2—Cu1—N1—C1 | −178.6 (4) | C7—C8—C9—N1 | 179.6 (4) |
N3—Cu1—N1—C1 | 164.0 (3) | N2—C8—C9—C4 | 178.7 (4) |
Cl2—Cu1—N1—C1 | 25.8 (4) | C7—C8—C9—C4 | −0.5 (6) |
Cl1—Cu1—N1—C1 | −83.7 (4) | C8—C7—C10—C11 | −0.3 (7) |
N2—Cu1—N1—C9 | −7.1 (3) | C6—C7—C10—C11 | 177.4 (4) |
N3—Cu1—N1—C9 | −24.6 (5) | C7—C10—C11—C12 | −0.8 (7) |
Cl2—Cu1—N1—C9 | −162.8 (3) | C8—N2—C12—C11 | −1.4 (6) |
Cl1—Cu1—N1—C9 | 87.7 (3) | Cu1—N2—C12—C11 | −174.7 (3) |
N1—Cu1—N2—C12 | −179.7 (3) | C8—N2—C12—C13 | 179.2 (3) |
N3—Cu1—N2—C12 | −7.3 (3) | Cu1—N2—C12—C13 | 6.0 (5) |
Cl2—Cu1—N2—C12 | −92.1 (4) | C10—C11—C12—N2 | 1.7 (7) |
Cl1—Cu1—N2—C12 | 87.3 (3) | C10—C11—C12—C13 | −179.1 (4) |
N1—Cu1—N2—C8 | 6.9 (3) | C14—N5—C13—N3 | −1.5 (6) |
N3—Cu1—N2—C8 | 179.2 (3) | C14—N5—C13—C12 | 178.8 (3) |
Cl2—Cu1—N2—C8 | 94.5 (3) | N4—N3—C13—N5 | 5.3 (6) |
Cl1—Cu1—N2—C8 | −86.1 (3) | Cu1—N3—C13—N5 | 173.8 (3) |
N2—Cu1—N3—C13 | 7.3 (3) | N4—N3—C13—C12 | −175.0 (3) |
N1—Cu1—N3—C13 | 24.9 (5) | Cu1—N3—C13—C12 | −6.5 (4) |
Cl2—Cu1—N3—C13 | 162.9 (3) | N2—C12—C13—N5 | −179.4 (3) |
Cl1—Cu1—N3—C13 | −87.0 (3) | C11—C12—C13—N5 | 1.3 (6) |
N2—Cu1—N3—N4 | 174.7 (3) | N2—C12—C13—N3 | 0.9 (5) |
N1—Cu1—N3—N4 | −167.6 (3) | C11—C12—C13—N3 | −178.4 (4) |
Cl2—Cu1—N3—N4 | −29.7 (3) | C13—N5—C14—C15 | −4.3 (5) |
Cl1—Cu1—N3—N4 | 80.5 (3) | C13—N5—C14—C16 | 176.6 (3) |
C13—N3—N4—C15 | −2.9 (5) | N3—N4—C15—C14 | −2.7 (5) |
Cu1—N3—N4—C15 | −169.9 (3) | N3—N4—C15—C22 | 176.6 (3) |
C9—N1—C1—C2 | 1.5 (6) | N5—C14—C15—N4 | 6.5 (6) |
Cu1—N1—C1—C2 | 172.6 (3) | C16—C14—C15—N4 | −174.4 (4) |
N1—C1—C2—C3 | −1.8 (7) | N5—C14—C15—C22 | −172.7 (4) |
C1—C2—C3—C4 | 1.1 (7) | C16—C14—C15—C22 | 6.3 (6) |
C2—C3—C4—C9 | −0.3 (7) | N5—C14—C16—C21 | 39.8 (5) |
C2—C3—C4—C5 | −178.9 (4) | C15—C14—C16—C21 | −139.3 (4) |
C9—C4—C5—C6 | 1.5 (7) | N5—C14—C16—C17 | −140.0 (4) |
C3—C4—C5—C6 | −179.8 (5) | C15—C14—C16—C17 | 40.9 (6) |
C4—C5—C6—C7 | −0.1 (7) | C21—C16—C17—C18 | 0.5 (6) |
C5—C6—C7—C8 | −1.5 (7) | C14—C16—C17—C18 | −179.6 (4) |
C5—C6—C7—C10 | −179.2 (4) | C16—C17—C18—C19 | 1.1 (6) |
C12—N2—C8—C7 | 0.3 (6) | C17—C18—C19—C20 | −1.0 (7) |
Cu1—N2—C8—C7 | 173.8 (3) | C18—C19—C20—C21 | −0.7 (7) |
C12—N2—C8—C9 | −178.9 (3) | C17—C16—C21—C20 | −2.2 (6) |
Cu1—N2—C8—C9 | −5.4 (5) | C14—C16—C21—C20 | 177.9 (4) |
C10—C7—C8—N2 | 0.6 (6) | C19—C20—C21—C16 | 2.3 (6) |
C6—C7—C8—N2 | −177.3 (4) | N4—C15—C22—C27 | −131.1 (4) |
C10—C7—C8—C9 | 179.8 (4) | C14—C15—C22—C27 | 48.2 (6) |
C6—C7—C8—C9 | 1.9 (6) | N4—C15—C22—C23 | 48.6 (5) |
C1—N1—C9—C4 | −0.6 (6) | C14—C15—C22—C23 | −132.0 (4) |
Cu1—N1—C9—C4 | −173.4 (3) | C27—C22—C23—C24 | −2.0 (6) |
C1—N1—C9—C8 | 179.4 (4) | C15—C22—C23—C24 | 178.2 (4) |
Cu1—N1—C9—C8 | 6.6 (4) | C22—C23—C24—C25 | 1.1 (7) |
C3—C4—C9—N1 | 0.0 (6) | C23—C24—C25—C26 | 1.1 (7) |
C5—C4—C9—N1 | 178.7 (4) | C24—C25—C26—C27 | −2.4 (7) |
C3—C4—C9—C8 | −180.0 (4) | C23—C22—C27—C26 | 0.7 (6) |
C5—C4—C9—C8 | −1.2 (6) | C15—C22—C27—C26 | −179.5 (4) |
N2—C8—C9—N1 | −1.2 (5) | C25—C26—C27—C22 | 1.5 (7) |
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