


Supporting information
![]() | Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314620009980/bh4052sup1.cif |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S2414314620009980/bh4052Isup2.hkl |
![]() | MDL mol file https://doi.org/10.1107/S2414314620009980/bh4052Isup3.mol |
CCDC reference: 2017730
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean
(C-C) = 0.009 Å
- Disorder in solvent or counterion
- R factor = 0.035
- wR factor = 0.091
- Data-to-parameter ratio = 13.4
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT031_ALERT_4_B Refined Extinction Parameter Within Range ...... 2.250 Sigma
Alert level C PLAT241_ALERT_2_C High 'MainMol' Ueq as Compared to Neighbors of Cu1 Check PLAT241_ALERT_2_C High 'MainMol' Ueq as Compared to Neighbors of C8 Check PLAT241_ALERT_2_C High 'MainMol' Ueq as Compared to Neighbors of C9 Check PLAT242_ALERT_2_C Low 'MainMol' Ueq as Compared to Neighbors of N2 Check PLAT242_ALERT_2_C Low 'MainMol' Ueq as Compared to Neighbors of C10 Check PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors of C16 Check PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 3.5 Note PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.3 Note PLAT260_ALERT_2_C Large Average Ueq of Residue Including N17 0.205 Check PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.00933 Ang. PLAT411_ALERT_2_C Short Inter H...H Contact H9 ..H13 . 2.12 Ang. 1-x,1-y,2-z = 2_667 Check PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.597 18 Report PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density. 0 Info
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 6 Report PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension 2 Info PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ... 0.50 Check PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records 8 Report PLAT173_ALERT_4_G The CIF-Embedded .res File Contains DANG Records 1 Report PLAT174_ALERT_4_G The CIF-Embedded .res File Contains FLAT Records 1 Report PLAT186_ALERT_4_G The CIF-Embedded .res File Contains ISOR Records 1 Report PLAT187_ALERT_4_G The CIF-Embedded .res File Contains RIGU Records 1 Report PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) I1 --Cu1 . 27.0 s.u. PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) I1 --Cu1_b . 49.4 s.u. PLAT300_ALERT_4_G Atom Site Occupancy of N17 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of C13 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of C14 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of C15 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of C18 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of H Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of H13 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of H15 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of H16 Constrained at 0.5 Check PLAT300_ALERT_4_G Atom Site Occupancy of H18 Constrained at 0.5 Check PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd 2 ) 71% Note PLAT432_ALERT_2_G Short Inter X...Y Contact C13 ..C13 1.30 Ang. 2-x,1-y,2-z = 2_767 Check PLAT432_ALERT_2_G Short Inter X...Y Contact C13 ..C14 2.43 Ang. 2-x,1-y,2-z = 2_767 Check PLAT432_ALERT_2_G Short Inter X...Y Contact C13 ..C15 3.10 Ang. 2-x,1-y,2-z = 2_767 Check PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.19 Ratio PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF . # 65 Check C16 -C15 -H 1.555 1.555 2.667 44.90 Deg. PLAT780_ALERT_1_G Coordinates do not Form a Properly Connected Set Please Do ! PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 87 Note PLAT909_ALERT_3_G Percentage of I>2sig(I) Data at Theta(Max) Still 47% Note PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ... 1 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 34 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 18 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 20 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
Data collection: CrysAlis PRO (Rigaku OD, 2019); cell refinement: CrysAlis PRO (Rigaku OD, 2019); data reduction: CrysAlis PRO (Rigaku OD, 2019); program(s) used to solve structure: SHELXT2018/2 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2015b); molecular graphics: Mercury (Macrae et al., 2020); software used to prepare material for publication: publCIF (Westrip, 2010).
[CuI(C12H10N2)·0.25C12H10N2 | Z = 2 |
Mr = 418.21 | F(000) = 404 |
Triclinic, P1 | Dx = 1.846 Mg m−3 |
a = 7.9004 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 10.4260 (3) Å | Cell parameters from 6736 reflections |
c = 10.5078 (3) Å | θ = 2.1–24.7° |
α = 99.903 (2)° | µ = 3.49 mm−1 |
β = 104.930 (2)° | T = 293 K |
γ = 110.061 (3)° | Block, red |
V = 752.55 (4) Å3 | 0.14 × 0.10 × 0.06 mm |
Rigaku XtaLAB Mini II diffractometer | 2683 independent reflections |
Radiation source: fine-focus sealed X-ray tube, Rigaku (Mo) X-ray Source | 2021 reflections with I > 2σ(I) |
Detector resolution: 10.0000 pixels mm-1 | Rint = 0.033 |
ω scans | θmax = 25.1°, θmin = 2.1° |
Absorption correction: multi-scan (CrysAlis Pro; Rigaku OD, 2019) | h = −9→9 |
Tmin = 0.838, Tmax = 1.000 | k = −12→12 |
16024 measured reflections | l = −12→12 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.035 | H-atom parameters constrained |
wR(F2) = 0.091 | w = 1/[σ2(Fo2) + (0.0389P)2 + 1.4132P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.001 |
2683 reflections | Δρmax = 0.60 e Å−3 |
200 parameters | Δρmin = −1.01 e Å−3 |
87 restraints | Extinction correction: SHELXL-2018/3 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 constraints | Extinction coefficient: 0.0018 (8) |
Primary atom site location: dual |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
I1 | 0.26536 (6) | 0.84672 (5) | 0.33204 (4) | 0.06679 (19) | |
Cu1 | 0.47272 (12) | 0.86742 (10) | 0.58757 (8) | 0.0777 (3) | |
N1 | 0.6174 (6) | 0.7452 (5) | 0.5719 (5) | 0.0605 (12) | |
N2 | 0.3214 (6) | 0.8771 (5) | 0.7122 (4) | 0.0515 (10) | |
C1 | 0.6526 (9) | 0.6715 (7) | 0.6588 (6) | 0.0683 (16) | |
H1 | 0.603438 | 0.674885 | 0.730152 | 0.082* | |
C2 | 0.7563 (8) | 0.5909 (6) | 0.6505 (6) | 0.0657 (16) | |
H2 | 0.773735 | 0.540343 | 0.713949 | 0.079* | |
C3 | 0.8346 (8) | 0.5847 (6) | 0.5482 (6) | 0.0572 (14) | |
C4 | 0.7964 (9) | 0.6579 (7) | 0.4552 (7) | 0.0743 (18) | |
H4 | 0.843618 | 0.655522 | 0.382777 | 0.089* | |
C5 | 0.6875 (9) | 0.7351 (7) | 0.4697 (7) | 0.0752 (18) | |
H5 | 0.661750 | 0.782544 | 0.404776 | 0.090* | |
C6 | 0.9505 (8) | 0.5005 (6) | 0.5415 (6) | 0.0614 (15) | |
H6 | 0.953705 | 0.443793 | 0.600578 | 0.074* | |
C7 | 0.0594 (8) | 0.9694 (6) | 1.0045 (5) | 0.0578 (14) | |
H7 | 0.093427 | 0.942977 | 1.084213 | 0.069* | |
C8 | 0.3474 (10) | 0.8408 (8) | 0.8268 (6) | 0.090 (2) | |
H8 | 0.427047 | 0.792999 | 0.844460 | 0.108* | |
C9 | 0.2652 (10) | 0.8686 (8) | 0.9223 (6) | 0.089 (2) | |
H9 | 0.290839 | 0.840143 | 1.001801 | 0.107* | |
C10 | 0.1457 (7) | 0.9378 (5) | 0.9018 (5) | 0.0470 (12) | |
C11 | 0.1145 (8) | 0.9735 (6) | 0.7811 (6) | 0.0625 (15) | |
H11 | 0.034006 | 1.020025 | 0.760252 | 0.075* | |
C12 | 0.2020 (8) | 0.9406 (6) | 0.6906 (6) | 0.0643 (16) | |
H12 | 0.175498 | 0.964583 | 0.608684 | 0.077* | |
C13 | 0.9182 (15) | 0.4586 (15) | 1.002 (3) | 0.207 (11) | 0.5 |
H13 | 0.901139 | 0.363730 | 1.005612 | 0.248* | 0.5 |
C14 | 0.7563 (17) | 0.4951 (16) | 0.9907 (15) | 0.157 (8) | 0.5 |
C15 | 0.7591 (17) | 0.6220 (15) | 1.0534 (17) | 0.173 (9) | 0.5 |
H15 | 0.873366 | 0.708859 | 1.090084 | 0.207* | 0.5 |
C16 | 0.5871 (15) | 0.6190 (9) | 1.0550 (15) | 0.265 (11) | |
H16 | 0.587357 | 0.707340 | 1.100402 | 0.318* | 0.5 |
H | 0.298137 | 0.295930 | 0.924152 | 0.318* | 0.5 |
N17 | 0.4132 (18) | 0.5088 (14) | 1.002 (3) | 0.268 (16) | 0.5 |
C18 | 0.5760 (17) | 0.3832 (16) | 0.926 (2) | 0.161 (8) | 0.5 |
H18 | 0.568167 | 0.300260 | 0.863881 | 0.193* | 0.5 |
U11 | U22 | U33 | U12 | U13 | U23 | |
I1 | 0.0821 (3) | 0.0961 (3) | 0.0635 (3) | 0.0621 (3) | 0.0395 (2) | 0.0464 (2) |
Cu1 | 0.0954 (6) | 0.1227 (7) | 0.0726 (5) | 0.0872 (6) | 0.0535 (4) | 0.0401 (5) |
N1 | 0.068 (3) | 0.084 (3) | 0.065 (3) | 0.056 (3) | 0.039 (2) | 0.030 (2) |
N2 | 0.061 (3) | 0.068 (3) | 0.053 (2) | 0.045 (2) | 0.033 (2) | 0.025 (2) |
C1 | 0.081 (4) | 0.100 (5) | 0.067 (4) | 0.067 (4) | 0.043 (3) | 0.039 (3) |
C2 | 0.075 (4) | 0.084 (4) | 0.076 (4) | 0.057 (4) | 0.041 (3) | 0.039 (3) |
C3 | 0.055 (3) | 0.064 (3) | 0.077 (4) | 0.043 (3) | 0.032 (3) | 0.028 (3) |
C4 | 0.091 (4) | 0.104 (5) | 0.085 (4) | 0.076 (4) | 0.059 (4) | 0.046 (4) |
C5 | 0.098 (5) | 0.106 (5) | 0.082 (4) | 0.081 (4) | 0.058 (4) | 0.052 (4) |
C6 | 0.064 (4) | 0.064 (3) | 0.086 (4) | 0.044 (3) | 0.041 (3) | 0.034 (3) |
C7 | 0.073 (4) | 0.088 (4) | 0.047 (3) | 0.055 (3) | 0.036 (3) | 0.034 (3) |
C8 | 0.123 (6) | 0.162 (7) | 0.073 (4) | 0.123 (6) | 0.062 (4) | 0.064 (4) |
C9 | 0.129 (6) | 0.160 (7) | 0.065 (4) | 0.122 (6) | 0.061 (4) | 0.070 (4) |
C10 | 0.050 (3) | 0.063 (3) | 0.046 (3) | 0.035 (3) | 0.026 (2) | 0.021 (2) |
C11 | 0.082 (4) | 0.093 (4) | 0.067 (3) | 0.071 (4) | 0.050 (3) | 0.046 (3) |
C12 | 0.094 (4) | 0.094 (4) | 0.064 (3) | 0.073 (4) | 0.054 (3) | 0.050 (3) |
C13 | 0.23 (2) | 0.15 (2) | 0.20 (2) | 0.062 (19) | 0.00 (2) | 0.10 (2) |
C14 | 0.27 (2) | 0.124 (12) | 0.066 (11) | 0.082 (13) | 0.017 (13) | 0.050 (10) |
C15 | 0.162 (16) | 0.099 (11) | 0.17 (2) | 0.014 (12) | −0.024 (16) | 0.035 (12) |
C16 | 0.229 (17) | 0.209 (17) | 0.233 (19) | 0.099 (14) | −0.031 (15) | −0.085 (14) |
N17 | 0.192 (18) | 0.28 (3) | 0.23 (3) | 0.106 (17) | 0.02 (2) | −0.12 (2) |
C18 | 0.24 (2) | 0.124 (14) | 0.120 (17) | 0.089 (14) | 0.042 (17) | 0.043 (12) |
I1—Cu1 | 2.6891 (9) | C9—C10 | 1.370 (7) |
I1—Cu1i | 2.8072 (11) | C9—H9 | 0.9300 |
Cu1—N1 | 1.996 (4) | C10—C11 | 1.368 (7) |
Cu1—N2 | 2.000 (4) | C11—C12 | 1.374 (6) |
N1—C1 | 1.326 (7) | C11—H11 | 0.9300 |
N1—C5 | 1.333 (6) | C12—H12 | 0.9300 |
N2—C8 | 1.311 (7) | C13—C13iv | 1.300 (10) |
N2—C12 | 1.322 (6) | C13—C14 | 1.437 (9) |
C1—C2 | 1.367 (7) | C13—H13 | 0.9609 |
C1—H1 | 0.9300 | C14—N17v | 1.348 (15) |
C2—C3 | 1.375 (7) | C14—C15 | 1.363 (9) |
C2—H2 | 0.9300 | C14—C18 | 1.394 (9) |
C3—C4 | 1.376 (8) | C15—C16 | 1.353 (9) |
C3—C6 | 1.475 (7) | C15—N17v | 1.45 (2) |
C4—C5 | 1.383 (7) | C15—H15 | 0.9607 |
C4—H4 | 0.9300 | C15—Hv | 1.11 (2) |
C5—H5 | 0.9300 | C16—C18v | 1.348 (9) |
C6—C6ii | 1.314 (10) | C16—N17 | 1.350 (9) |
C6—H6 | 0.9300 | C16—N17v | 1.362 (9) |
C7—C7iii | 1.297 (9) | C16—H16 | 0.9608 |
C7—C10 | 1.466 (6) | C16—Hv | 0.967 (18) |
C7—H7 | 0.9300 | N17—C18v | 1.21 (2) |
C8—C9 | 1.370 (7) | N17—N17v | 1.45 (2) |
C8—H8 | 0.9300 | C18—H18 | 0.9607 |
Cu1—I1—Cu1i | 80.26 (3) | N17v—C14—C15 | 64.6 (10) |
N1—Cu1—N2 | 127.33 (17) | N17v—C14—C18 | 52.3 (10) |
N1—Cu1—I1 | 108.03 (13) | C15—C14—C18 | 116.2 (10) |
N2—Cu1—I1 | 109.45 (12) | N17v—C14—C13 | 160.3 (17) |
N1—Cu1—I1i | 107.96 (15) | C15—C14—C13 | 126.9 (13) |
N2—Cu1—I1i | 100.67 (13) | C18—C14—C13 | 116.2 (11) |
I1—Cu1—I1i | 99.74 (3) | C16—C15—C14 | 115.2 (10) |
C1—N1—C5 | 115.8 (4) | C16—C15—N17v | 58.1 (6) |
C1—N1—Cu1 | 124.3 (3) | C14—C15—N17v | 57.2 (8) |
C5—N1—Cu1 | 119.9 (4) | C16—C15—H15 | 121.9 |
C8—N2—C12 | 115.1 (4) | C14—C15—H15 | 122.8 |
C8—N2—Cu1 | 124.8 (3) | N17v—C15—H15 | 179.9 |
C12—N2—Cu1 | 119.5 (3) | C16—C15—Hv | 44.9 (10) |
N1—C1—C2 | 124.4 (5) | C14—C15—Hv | 157.2 (16) |
N1—C1—H1 | 117.8 | N17v—C15—Hv | 102.3 (13) |
C2—C1—H1 | 117.8 | H15—C15—Hv | 77.6 |
C1—C2—C3 | 119.9 (5) | C18v—C16—N17 | 53.2 (10) |
C1—C2—H2 | 120.1 | C18v—C16—C15 | 172.4 (16) |
C3—C2—H2 | 120.1 | N17—C16—C15 | 129.2 (11) |
C2—C3—C4 | 116.6 (4) | C18v—C16—N17v | 116.9 (11) |
C2—C3—C6 | 119.8 (5) | N17—C16—N17v | 64.9 (11) |
C4—C3—C6 | 123.5 (5) | C15—C16—N17v | 64.5 (9) |
C3—C4—C5 | 119.8 (5) | C18v—C16—H16 | 62.0 |
C3—C4—H4 | 120.1 | N17—C16—H16 | 114.6 |
C5—C4—H4 | 120.1 | C15—C16—H16 | 116.1 |
N1—C5—C4 | 123.5 (5) | N17v—C16—H16 | 176.3 |
N1—C5—H5 | 118.3 | C18v—C16—Hv | 125.1 (15) |
C4—C5—H5 | 118.3 | N17—C16—Hv | 168 (3) |
C6ii—C6—C3 | 125.1 (7) | C15—C16—Hv | 54.4 (13) |
C6ii—C6—H6 | 117.4 | N17v—C16—Hv | 118.0 (18) |
C3—C6—H6 | 117.4 | H16—C16—Hv | 63.3 |
C7iii—C7—C10 | 126.7 (6) | C18v—N17—C14v | 65.8 (8) |
C7iii—C7—H7 | 116.7 | C18v—N17—C16 | 63.3 (7) |
C10—C7—H7 | 116.7 | C14v—N17—C16 | 128.9 (12) |
N2—C8—C9 | 124.4 (5) | C18v—N17—C16v | 168 (3) |
N2—C8—H8 | 117.8 | C14v—N17—C16v | 115.6 (11) |
C9—C8—H8 | 117.8 | C16—N17—C16v | 115.1 (11) |
C10—C9—C8 | 120.6 (5) | C18v—N17—C15v | 123.2 (12) |
C10—C9—H9 | 119.7 | C14v—N17—C15v | 58.2 (7) |
C8—C9—H9 | 119.7 | C16—N17—C15v | 172.1 (15) |
C11—C10—C9 | 115.5 (4) | C16v—N17—C15v | 57.5 (7) |
C11—C10—C7 | 123.8 (4) | C18v—N17—N17v | 120.1 (14) |
C9—C10—C7 | 120.8 (4) | C14v—N17—N17v | 171 (3) |
C10—C11—C12 | 120.1 (5) | C16—N17—N17v | 58.0 (7) |
C10—C11—H11 | 120.0 | C16v—N17—N17v | 57.1 (7) |
C12—C11—H11 | 120.0 | C15v—N17—N17v | 114.5 (11) |
N2—C12—C11 | 124.4 (5) | N17v—C18—C16v | 63.5 (7) |
N2—C12—H12 | 117.8 | N17v—C18—C14 | 61.9 (9) |
C11—C12—H12 | 117.8 | C16v—C18—C14 | 125.2 (12) |
C13iv—C13—C14 | 124.7 (16) | N17v—C18—H18 | 176.4 |
C13iv—C13—H13 | 117.5 | C16v—C18—H18 | 117.6 |
C14—C13—H13 | 117.6 | C14—C18—H18 | 117.2 |
C5—N1—C1—C2 | 1.2 (10) | C13iv—C13—C14—C15 | −43 (5) |
Cu1—N1—C1—C2 | −178.1 (5) | C13iv—C13—C14—C18 | 147 (3) |
N1—C1—C2—C3 | 1.1 (11) | N17v—C14—C15—C16 | −2.9 (18) |
C1—C2—C3—C4 | −2.4 (9) | C18—C14—C15—C16 | 5.8 (16) |
C1—C2—C3—C6 | 178.5 (6) | C13—C14—C15—C16 | −164.1 (18) |
C2—C3—C4—C5 | 1.4 (10) | C18—C14—C15—N17v | 8.7 (18) |
C6—C3—C4—C5 | −179.5 (6) | C13—C14—C15—N17v | −161 (2) |
C1—N1—C5—C4 | −2.3 (10) | C14—C15—C16—N17 | −1 (2) |
Cu1—N1—C5—C4 | 177.0 (5) | N17v—C15—C16—N17 | −4 (3) |
C3—C4—C5—N1 | 1.0 (11) | C14—C15—C16—N17v | 2.9 (18) |
C2—C3—C6—C6ii | −172.0 (8) | C15—C16—N17—C18v | 171 (2) |
C4—C3—C6—C6ii | 8.9 (12) | N17v—C16—N17—C18v | 167 (3) |
C12—N2—C8—C9 | −2.1 (11) | C18v—C16—N17—C14v | 6 (2) |
Cu1—N2—C8—C9 | 169.2 (6) | C15—C16—N17—C14v | 177 (2) |
N2—C8—C9—C10 | 0.4 (13) | N17v—C16—N17—C14v | 173 (5) |
C8—C9—C10—C11 | 0.9 (11) | C18v—C16—N17—C16v | −167 (3) |
C8—C9—C10—C7 | −179.2 (7) | C15—C16—N17—C16v | 4 (3) |
C7iii—C7—C10—C11 | 1.9 (12) | N17v—C16—N17—C16v | 0.001 (1) |
C7iii—C7—C10—C9 | −178.0 (8) | C18v—C16—N17—N17v | −167 (3) |
C9—C10—C11—C12 | −0.5 (9) | C15—C16—N17—N17v | 4 (3) |
C7—C10—C11—C12 | 179.6 (6) | C15—C14—C18—N17v | −10 (2) |
C8—N2—C12—C11 | 2.6 (10) | C13—C14—C18—N17v | 161 (2) |
Cu1—N2—C12—C11 | −169.2 (5) | N17v—C14—C18—C16v | −5 (2) |
C10—C11—C12—N2 | −1.3 (10) | C15—C14—C18—C16v | −15 (3) |
C13iv—C13—C14—N17v | −163 (4) | C13—C14—C18—C16v | 156 (2) |
Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+2, −y+1, −z+1; (iii) −x, −y+2, −z+2; (iv) −x+2, −y+1, −z+2; (v) −x+1, −y+1, −z+2. |