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The Cu atom in the title complex {[Cu(C10H8N2)(C12H8N2)(ClO4)2]·H2O}n, has an N4O2 octahedral coordination geometry, the Cu atoms being bridged by the bipyridine and chelated by the phenanthroline heterocycles. Adjacent molecules are linked into a zigzag chain running along the c axis of the monoclinic unit cell. The chains are connected through lattice water molecules to produce a layer structure.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100011057/qa0341sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270100011057/qa0341Isup2.hkl |
CCDC reference: 150721
Computing details top
Data collection: R3m Software (Siemens, 1990); cell refinement: R3m Software; data reduction: R3m Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: SHELXL97.
catena-(µ2-4,4'-bipyridine)(1,10-phenanthroline)(diperchlorato)copper(II)monohydrate top
Crystal data top
[Cu(C12H8N2)(C10H8N2)(ClO4)2]·H2O | F(000) = 1252 |
Mr = 616.84 | Dx = 1.717 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 12.553 (1) Å | Cell parameters from 25 reflections |
b = 14.4169 (9) Å | θ = 7.5–15° |
c = 13.2205 (9) Å | µ = 1.20 mm−1 |
β = 94.377 (7)° | T = 298 K |
V = 2385.5 (3) Å3 | Block, blue |
Z = 4 | 0.42 × 0.36 × 0.34 mm |
Data collection top
Siemens R3m diffractometer | 2883 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.004 |
Graphite monochromator | θmax = 25.0°, θmin = 2.2° |
ω scans | h = 0→14 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→17 |
Tmin = 0.596, Tmax = 0.665 | l = −15→15 |
5775 measured reflections | 2 standard reflections every 120 reflections |
4185 independent reflections | intensity decay: none |
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)] = 0.061 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.173 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0826P)2 + 6.1274P] where P = (Fo2 + 2Fc2)/3 |
4187 reflections | (Δ/σ)max < 0.001 |
343 parameters | Δρmax = 0.61 e Å−3 |
12 restraints | Δρmin = −0.77 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Cu1 | 0.65192 (6) | 0.28804 (5) | −0.05341 (5) | 0.0354 (2) | |
Cl1 | 0.3745 (1) | 0.2847 (1) | −0.0819 (1) | 0.0545 (5) | |
Cl2 | 0.9269 (1) | 0.3141 (1) | −0.1729 (1) | 0.0414 (4) | |
O1 | 0.4694 (3) | 0.2999 (3) | −0.0172 (3) | 0.059 (1) | |
O2 | 0.2859 (5) | 0.3216 (6) | −0.0384 (6) | 0.128 (3) | |
O3 | 0.3870 (6) | 0.3170 (9) | −0.1773 (5) | 0.195 (6) | |
O4 | 0.3615 (8) | 0.1882 (4) | −0.0906 (8) | 0.161 (4) | |
O5 | 0.8551 (4) | 0.2691 (4) | −0.1112 (4) | 0.073 (2) | |
O6 | 0.9684 (5) | 0.3926 (3) | −0.1192 (5) | 0.087 (2) | |
O7 | 1.0114 (5) | 0.2548 (4) | −0.1901 (5) | 0.100 (2) | |
O8 | 0.8710 (5) | 0.3421 (8) | −0.2629 (5) | 0.150 (4) | |
O1W | 0.353 (1) | 0.0485 (9) | 0.077 (1) | 0.237 (6) | |
N1 | 0.6253 (4) | 0.2262 (3) | −0.1882 (3) | 0.034 (1) | |
N2 | 0.6331 (4) | 0.4039 (3) | −0.1398 (3) | 0.035 (1) | |
N3 | 0.7026 (4) | 0.3591 (3) | 0.0719 (3) | 0.035 (1) | |
N4 | 0.8234 (4) | 0.6701 (3) | 0.4719 (3) | 0.037 (1) | |
C1 | 0.6174 (5) | 0.2871 (4) | −0.2655 (4) | 0.036 (1) | |
C2 | 0.6203 (5) | 0.1362 (4) | −0.2097 (5) | 0.046 (2) | |
C3 | 0.6071 (5) | 0.1035 (5) | −0.3084 (6) | 0.057 (2) | |
C4 | 0.6001 (6) | 0.1642 (5) | −0.3869 (5) | 0.057 (2) | |
C5 | 0.6050 (5) | 0.2602 (5) | −0.3676 (5) | 0.045 (2) | |
C6 | 0.5973 (6) | 0.3303 (7) | −0.4448 (5) | 0.066 (2) | |
C7 | 0.6010 (6) | 0.4192 (6) | −0.4196 (5) | 0.062 (2) | |
C8 | 0.6118 (5) | 0.4494 (4) | −0.3160 (5) | 0.044 (2) | |
C9 | 0.6131 (5) | 0.5428 (5) | −0.2833 (6) | 0.057 (2) | |
C10 | 0.6220 (6) | 0.5637 (5) | −0.1839 (6) | 0.057 (2) | |
C11 | 0.6322 (5) | 0.4924 (4) | −0.1137 (5) | 0.047 (2) | |
C12 | 0.6215 (4) | 0.3823 (4) | −0.2398 (4) | 0.033 (1) | |
C13 | 0.6464 (5) | 0.3570 (4) | 0.1532 (4) | 0.040 (1) | |
C14 | 0.6732 (5) | 0.4092 (4) | 0.2372 (4) | 0.039 (1) | |
C15 | 0.7589 (4) | 0.4688 (4) | 0.2402 (4) | 0.034 (1) | |
C16 | 0.8191 (5) | 0.4682 (4) | 0.1563 (4) | 0.041 (2) | |
C17 | 0.7897 (5) | 0.4130 (4) | 0.0754 (5) | 0.044 (2) | |
C18 | 0.7836 (5) | 0.5347 (4) | 0.3250 (4) | 0.034 (1) | |
C19 | 0.7010 (5) | 0.5811 (4) | 0.3667 (4) | 0.039 (1) | |
C20 | 0.7234 (5) | 0.6478 (4) | 0.4381 (4) | 0.042 (2) | |
C21 | 0.9038 (5) | 0.6229 (4) | 0.4329 (5) | 0.046 (2) | |
C22 | 0.8853 (5) | 0.5563 (4) | 0.3614 (5) | 0.048 (2) | |
H1W1 | 0.3700 | 0.0965 | 0.0364 | 0.050* | |
H1W2 | 0.2991 | 0.0760 | 0.1074 | 0.050* | |
H2 | 0.6260 | 0.0936 | −0.1567 | 0.055* | |
H3 | 0.6027 | 0.0401 | −0.3208 | 0.069* | |
H4 | 0.5923 | 0.1426 | −0.4533 | 0.068* | |
H6 | 0.5898 | 0.3132 | −0.5128 | 0.079* | |
H7 | 0.5964 | 0.4636 | −0.4708 | 0.074* | |
H9 | 0.6079 | 0.5903 | −0.3310 | 0.068* | |
H10 | 0.6215 | 0.6252 | −0.1625 | 0.069* | |
H11 | 0.6384 | 0.5074 | −0.0451 | 0.057* | |
H13 | 0.5869 | 0.3186 | 0.1528 | 0.048* | |
H14 | 0.6330 | 0.4047 | 0.2932 | 0.047* | |
H16 | 0.8795 | 0.5055 | 0.1554 | 0.050* | |
H17 | 0.8318 | 0.4127 | 0.0205 | 0.053* | |
H19 | 0.6304 | 0.5669 | 0.3460 | 0.046* | |
H20 | 0.6669 | 0.6791 | 0.4645 | 0.051* | |
H21 | 0.9740 | 0.6363 | 0.4559 | 0.055* | |
H22 | 0.9426 | 0.5250 | 0.3366 | 0.058* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0530 (5) | 0.0264 (4) | 0.0261 (4) | −0.0060 (3) | −0.0008 (3) | 0.0007 (3) |
Cl1 | 0.0446 (9) | 0.065 (1) | 0.054 (1) | 0.0032 (8) | −0.001 (1) | 0.0036 (9) |
Cl2 | 0.0442 (9) | 0.0432 (9) | 0.0379 (8) | −0.0048 (7) | 0.0099 (6) | 0.0008 (6) |
O1 | 0.044 (3) | 0.078 (3) | 0.054 (3) | −0.004 (2) | 0.000 (2) | 0.000 (3) |
O2 | 0.056 (4) | 0.198 (8) | 0.130 (6) | 0.026 (4) | 0.016 (4) | −0.041 (6) |
O3 | 0.085 (5) | 0.39 (2) | 0.103 (6) | 0.001 (7) | −0.013 (4) | 0.137 (8) |
O4 | 0.169 (8) | 0.096 (6) | 0.20 (1) | −0.024 (5) | −0.079 (7) | −0.040 (6) |
O5 | 0.074 (4) | 0.068 (3) | 0.081 (4) | −0.021 (3) | 0.036 (3) | 0.009 (3) |
O6 | 0.100 (5) | 0.050 (3) | 0.112 (5) | −0.027 (3) | 0.024 (4) | −0.011 (3) |
O7 | 0.098 (5) | 0.081 (4) | 0.127 (6) | 0.030 (4) | 0.059 (4) | −0.008 (4) |
O8 | 0.094 (5) | 0.29 (1) | 0.063 (4) | −0.021 (6) | −0.018 (4) | 0.068 (6) |
O1W | 0.22 (1) | 0.18 (1) | 0.32 (2) | 0.012 (9) | 0.08 (1) | 0.02 (1) |
N1 | 0.041 (3) | 0.029 (3) | 0.031 (2) | −0.006 (2) | 0.001 (2) | −0.003 (2) |
N2 | 0.041 (3) | 0.030 (3) | 0.034 (3) | −0.004 (2) | 0.002 (2) | 0.000 (2) |
N3 | 0.042 (3) | 0.036 (3) | 0.027 (2) | −0.007 (2) | 0.005 (2) | −0.003 (2) |
N4 | 0.051 (3) | 0.031 (3) | 0.030 (3) | −0.001 (2) | −0.002 (2) | −0.005 (2) |
C1 | 0.035 (3) | 0.042 (3) | 0.031 (3) | 0.000 (3) | 0.005 (2) | 0.002 (3) |
C2 | 0.049 (4) | 0.034 (3) | 0.054 (4) | −0.008 (3) | −0.001 (3) | −0.009 (3) |
C3 | 0.060 (5) | 0.050 (4) | 0.061 (5) | −0.012 (3) | 0.003 (4) | −0.024 (4) |
C4 | 0.061 (5) | 0.072 (5) | 0.038 (4) | −0.008 (4) | 0.002 (3) | −0.024 (4) |
C5 | 0.037 (4) | 0.062 (4) | 0.037 (3) | −0.001 (3) | −0.001 (3) | −0.006 (3) |
C6 | 0.073 (5) | 0.098 (7) | 0.027 (4) | 0.008 (5) | −0.001 (3) | −0.001 (4) |
C7 | 0.065 (5) | 0.086 (6) | 0.035 (4) | 0.007 (4) | 0.002 (3) | 0.022 (4) |
C8 | 0.034 (3) | 0.046 (4) | 0.050 (4) | 0.005 (3) | 0.005 (3) | 0.017 (3) |
C9 | 0.059 (4) | 0.044 (4) | 0.068 (5) | 0.007 (3) | 0.009 (4) | 0.028 (4) |
C10 | 0.062 (5) | 0.032 (4) | 0.078 (6) | 0.001 (3) | 0.006 (4) | 0.004 (4) |
C11 | 0.051 (4) | 0.033 (3) | 0.058 (4) | −0.004 (3) | 0.005 (3) | −0.002 (3) |
C12 | 0.026 (3) | 0.041 (3) | 0.035 (3) | 0.000 (2) | 0.009 (2) | 0.006 (3) |
C13 | 0.045 (4) | 0.046 (4) | 0.028 (3) | −0.015 (3) | 0.003 (3) | −0.002 (3) |
C14 | 0.042 (3) | 0.049 (4) | 0.026 (3) | −0.012 (3) | 0.007 (2) | −0.006 (3) |
C15 | 0.035 (3) | 0.036 (3) | 0.031 (3) | −0.001 (3) | 0.000 (2) | −0.002 (2) |
C16 | 0.034 (3) | 0.047 (4) | 0.044 (3) | −0.013 (3) | 0.008 (3) | −0.011 (3) |
C17 | 0.038 (4) | 0.053 (4) | 0.042 (4) | −0.009 (3) | 0.011 (3) | −0.008 (3) |
C18 | 0.042 (3) | 0.030 (3) | 0.030 (3) | −0.004 (3) | 0.002 (2) | −0.004 (2) |
C19 | 0.037 (3) | 0.042 (3) | 0.037 (3) | −0.004 (3) | 0.004 (3) | −0.006 (3) |
C20 | 0.049 (4) | 0.041 (3) | 0.038 (3) | 0.003 (3) | 0.008 (3) | −0.008 (3) |
C21 | 0.039 (4) | 0.044 (4) | 0.051 (4) | 0.007 (3) | −0.012 (3) | −0.015 (3) |
C22 | 0.042 (4) | 0.048 (4) | 0.054 (4) | 0.008 (3) | −0.004 (3) | −0.020 (3) |
Geometric parameters (Å, º) top
Cu1—N1 | 1.998 (4) | C8—C9 | 1.41 (1) |
Cu1—N2 | 2.028 (5) | C9—C10 | 1.35 (1) |
Cu1—N3 | 2.009 (4) | C10—C11 | 1.384 (9) |
Cu1—N4i | 2.025 (5) | C13—C14 | 1.361 (8) |
Cu1—O1 | 2.382 (4) | C14—C15 | 1.374 (8) |
Cu1—O5 | 2.731 (5) | C15—C16 | 1.389 (8) |
Cl1—O3 | 1.365 (6) | C15—C18 | 1.484 (7) |
Cl1—O2 | 1.395 (5) | C16—C17 | 1.361 (8) |
Cl1—O4 | 1.404 (6) | C18—C22 | 1.366 (8) |
Cl1—O1 | 1.430 (4) | C18—C19 | 1.384 (8) |
Cl2—O8 | 1.393 (5) | C19—C20 | 1.361 (8) |
Cl2—O7 | 1.394 (5) | C21—C22 | 1.355 (8) |
Cl2—O6 | 1.415 (5) | O1W—H1W1 | 0.90 |
Cl2—O5 | 1.418 (4) | O1W—H1W2 | 0.90 |
N1—C2 | 1.329 (7) | C2—H2 | 0.9300 |
N1—C1 | 1.345 (7) | C3—H3 | 0.9300 |
N2—C11 | 1.322 (7) | C4—H4 | 0.9300 |
N2—C12 | 1.355 (7) | C6—H6 | 0.9300 |
N3—C13 | 1.331 (7) | C7—H7 | 0.9300 |
N3—C17 | 1.339 (7) | C9—H9 | 0.9300 |
N4—C20 | 1.339 (8) | C10—H10 | 0.9301 |
N4—C21 | 1.351 (8) | C11—H11 | 0.9299 |
C1—C5 | 1.402 (8) | C13—H13 | 0.9301 |
C1—C12 | 1.415 (8) | C14—H14 | 0.9299 |
C2—C3 | 1.385 (9) | C16—H16 | 0.9301 |
C3—C4 | 1.36 (1) | C17—H17 | 0.9300 |
C4—C5 | 1.41 (1) | C19—H19 | 0.9299 |
C5—C6 | 1.43 (1) | C20—H20 | 0.9300 |
C6—C7 | 1.33 (1) | C21—H21 | 0.9300 |
C7—C8 | 1.43 (1) | C22—H22 | 0.9300 |
C8—C12 | 1.395 (8) | ||
N1—Cu1—N2 | 82.0 (2) | C9—C8—C7 | 125.4 (6) |
N1—Cu1—N3 | 169.7 (2) | C10—C9—C8 | 120.7 (6) |
N1—Cu1—N4i | 96.2 (2) | C9—C10—C11 | 119.0 (6) |
N1—Cu1—O1 | 96.5 (2) | N2—C11—C10 | 123.0 (6) |
N1—Cu1—O5 | 78.6 (2) | N2—C12—C8 | 122.8 (5) |
N2—Cu1—N3 | 93.5 (2) | N2—C12—C1 | 117.2 (5) |
N2—Cu1—N4i | 177.0 (2) | C8—C12—C1 | 120.0 (5) |
N2—Cu1—O1 | 88.9 (2) | N3—C13—C14 | 122.2 (5) |
N2—Cu1—O5 | 89.8 (2) | C13—C14—C15 | 120.8 (5) |
N3—Cu1—N4i | 87.9 (2) | C14—C15—C16 | 116.5 (5) |
N3—Cu1—O1 | 92.7 (2) | C14—C15—C18 | 122.7 (5) |
N3—Cu1—O5 | 92.2 (2) | C16—C15—C18 | 120.8 (5) |
N4i—Cu1—O1 | 93.7 (2) | C17—C16—C15 | 119.9 (5) |
N4i—Cu1—O5 | 87.5 (2) | C22—C18—C19 | 117.2 (5) |
O1—Cu1—O5 | 175.1 (2) | C22—C18—C15 | 123.3 (5) |
O3—Cl1—O2 | 113.6 (6) | C19—C18—C15 | 119.4 (5) |
O3—Cl1—O4 | 106.5 (7) | C20—C19—C18 | 119.8 (6) |
O2—Cl1—O4 | 108.7 (6) | N3—C17—C16 | 122.6 (5) |
O3—Cl1—O1 | 110.5 (4) | N4—C20—C19 | 122.6 (6) |
O2—Cl1—O1 | 110.4 (4) | N4—C21—C22 | 122.0 (6) |
O4—Cl1—O1 | 106.7 (4) | C21—C22—C18 | 120.9 (6) |
O8—Cl2—O7 | 112.2 (5) | H1W1—O1W—H1W2 | 99 |
O8—Cl2—O6 | 109.8 (5) | N1—C2—H2 | 118.9 |
O7—Cl2—O6 | 108.5 (4) | C3—C2—H2 | 118.8 |
O8—Cl2—O5 | 108.9 (4) | C4—C3—H3 | 120.0 |
O7—Cl2—O5 | 109.8 (4) | C2—C3—H3 | 120.1 |
O6—Cl2—O5 | 107.6 (3) | C3—C4—H4 | 120.3 |
Cl1—O1—Cu1 | 129.7 (3) | C5—C4—H4 | 120.0 |
Cl2—O5—Cu1 | 139.7 (3) | C7—C6—H6 | 119.9 |
C2—N1—C1 | 118.4 (5) | C5—C6—H6 | 119.8 |
C2—N1—Cu1 | 128.9 (4) | C6—C7—H7 | 118.9 |
C1—N1—Cu1 | 112.6 (4) | C8—C7—H7 | 118.9 |
C11—N2—C12 | 118.3 (5) | C10—C9—H9 | 119.6 |
C11—N2—Cu1 | 130.7 (4) | C8—C9—H9 | 119.7 |
C12—N2—Cu1 | 111.0 (4) | C9—C10—H10 | 120.6 |
C13—N3—C17 | 117.8 (5) | C11—C10—H10 | 120.4 |
C13—N3—Cu1 | 120.1 (4) | N2—C11—H11 | 118.5 |
C17—N3—Cu1 | 122.1 (4) | C10—C11—H11 | 118.5 |
C20—N4—C21 | 117.4 (5) | N3—C13—H13 | 118.9 |
C20—N4—Cu1ii | 118.7 (4) | C14—C13—H13 | 118.8 |
C21—N4—Cu1ii | 122.5 (4) | C13—C14—H14 | 119.7 |
N1—C1—C5 | 123.2 (6) | C15—C14—H14 | 119.5 |
N1—C1—C12 | 116.9 (5) | C17—C16—H16 | 120.0 |
C5—C1—C12 | 119.9 (5) | C15—C16—H16 | 120.0 |
N1—C2—C3 | 122.2 (6) | N3—C17—H17 | 118.7 |
C4—C3—C2 | 119.9 (7) | C16—C17—H17 | 118.7 |
C3—C4—C5 | 119.7 (6) | C20—C19—H19 | 120.1 |
C1—C5—C4 | 116.5 (6) | C18—C19—H19 | 120.1 |
C1—C5—C6 | 119.2 (6) | N4—C20—H20 | 118.7 |
C4—C5—C6 | 124.3 (6) | C19—C20—H20 | 118.6 |
C7—C6—C5 | 120.3 (7) | N4—C21—H21 | 119.1 |
C6—C7—C8 | 122.2 (7) | C22—C21—H21 | 118.9 |
C12—C8—C9 | 116.2 (6) | C21—C22—H22 | 119.6 |
C12—C8—C7 | 118.4 (6) | C18—C22—H22 | 119.5 |
O3—Cl1—O1—Cu1 | −38.3 (7) | N1—C1—C5—C4 | 0.6 (9) |
O2—Cl1—O1—Cu1 | −164.9 (5) | C12—C1—C5—C4 | −179.1 (6) |
O4—Cl1—O1—Cu1 | 77.1 (6) | N1—C1—C5—C6 | −180.0 (6) |
N1—Cu1—O1—Cl1 | −11.1 (4) | C12—C1—C5—C6 | 0.3 (9) |
N3—Cu1—O1—Cl1 | 164.1 (4) | C3—C4—C5—C1 | 0 (1) |
N4i—Cu1—O1—Cl1 | −107.8 (4) | C3—C4—C5—C6 | −179.3 (7) |
N2—Cu1—O1—Cl1 | 70.7 (4) | C1—C5—C6—C7 | −1 (1) |
O5—Cu1—O1—Cl1 | −4 (2) | C4—C5—C6—C7 | 178.9 (7) |
O8—Cl2—O5—Cu1 | −41.6 (7) | C5—C6—C7—C8 | −1 (1) |
O7—Cl2—O5—Cu1 | −164.8 (5) | C6—C7—C8—C12 | 2 (1) |
O6—Cl2—O5—Cu1 | 77.3 (6) | C6—C7—C8—C9 | −178.0 (7) |
N1—Cu1—O5—Cl2 | 82.0 (5) | C12—C8—C9—C10 | −1 (1) |
N3—Cu1—O5—Cl2 | −93.3 (5) | C7—C8—C9—C10 | 179.0 (6) |
N4i—Cu1—O5—Cl2 | 178.9 (5) | C8—C9—C10—C11 | 1 (1) |
N2—Cu1—O5—Cl2 | 0.1 (5) | C12—N2—C11—C10 | −1.3 (9) |
O1—Cu1—O5—Cl2 | 75 (2) | Cu1—N2—C11—C10 | 177.5 (5) |
N3—Cu1—N1—C2 | 116.6 (11) | C9—C10—C11—N2 | −1 (1) |
N4i—Cu1—N1—C2 | 3.6 (5) | C11—N2—C12—C8 | 1.9 (8) |
N2—Cu1—N1—C2 | −178.8 (5) | Cu1—N2—C12—C8 | −177.2 (4) |
O1—Cu1—N1—C2 | −90.9 (5) | C11—N2—C12—C1 | −176.9 (5) |
O5—Cu1—N1—C2 | 89.7 (5) | Cu1—N2—C12—C1 | 4.0 (6) |
N3—Cu1—N1—C1 | −59.7 (12) | C9—C8—C12—N2 | −0.9 (8) |
N4i—Cu1—N1—C1 | −172.8 (4) | C7—C8—C12—N2 | 179.3 (5) |
N2—Cu1—N1—C1 | 4.8 (4) | C9—C8—C12—C1 | 177.9 (5) |
O1—Cu1—N1—C1 | 92.8 (4) | C7—C8—C12—C1 | −1.9 (9) |
O5—Cu1—N1—C1 | −86.6 (4) | N1—C1—C12—N2 | 0.0 (8) |
N1—Cu1—N2—C11 | 176.3 (6) | C5—C1—C12—N2 | 179.7 (5) |
N3—Cu1—N2—C11 | −13.0 (6) | N1—C1—C12—C8 | −178.8 (5) |
N4i—Cu1—N2—C11 | −130 (4) | C5—C1—C12—C8 | 0.9 (8) |
O1—Cu1—N2—C11 | 79.6 (5) | C17—N3—C13—C14 | 1.7 (9) |
O5—Cu1—N2—C11 | −105.2 (6) | Cu1—N3—C13—C14 | −175.2 (5) |
N1—Cu1—N2—C12 | −4.8 (4) | N3—C13—C14—C15 | 2 (1) |
N3—Cu1—N2—C12 | 165.9 (4) | C13—C14—C15—C16 | −3.8 (9) |
N4i—Cu1—N2—C12 | 49 (4) | C13—C14—C15—C18 | 172.8 (6) |
O1—Cu1—N2—C12 | −101.5 (4) | C14—C15—C16—C17 | 2.4 (9) |
O5—Cu1—N2—C12 | 73.7 (4) | C18—C15—C16—C17 | −174.3 (6) |
N1—Cu1—N3—C13 | −179.0 (9) | C13—N3—C17—C16 | −3.2 (9) |
N4i—Cu1—N3—C13 | −65.3 (5) | Cu1—N3—C17—C16 | 173.6 (5) |
N2—Cu1—N3—C13 | 117.4 (5) | C15—C16—C17—N3 | 1 (1) |
O1—Cu1—N3—C13 | 28.3 (5) | C14—C15—C18—C22 | 143.4 (7) |
O5—Cu1—N3—C13 | −152.7 (5) | C16—C15—C18—C22 | −40.1 (9) |
N1—Cu1—N3—C17 | 4 (1) | C14—C15—C18—C19 | −40.3 (8) |
N4i—Cu1—N3—C17 | 117.9 (5) | C16—C15—C18—C19 | 136.2 (6) |
N2—Cu1—N3—C17 | −59.4 (5) | C22—C18—C19—C20 | 2.6 (9) |
O1—Cu1—N3—C17 | −148.5 (5) | C15—C18—C19—C20 | −174.0 (5) |
O5—Cu1—N3—C17 | 30.5 (5) | C21—N4—C20—C19 | −0.5 (9) |
C2—N1—C1—C5 | −0.6 (8) | Cu1ii—N4—C20—C19 | 166.6 (5) |
Cu1—N1—C1—C5 | 176.2 (5) | C18—C19—C20—N4 | −1.3 (9) |
C2—N1—C1—C12 | 179.1 (5) | C20—N4—C21—C22 | 0.9 (9) |
Cu1—N1—C1—C12 | −4.1 (6) | Cu1ii—N4—C21—C22 | −165.6 (5) |
C1—N1—C2—C3 | −0.1 (9) | N4—C21—C22—C18 | 1 (1) |
Cu1—N1—C2—C3 | −176.3 (5) | C19—C18—C22—C21 | −2 (1) |
N1—C2—C3—C4 | 1 (1) | C15—C18—C22—C21 | 174.2 (6) |
C2—C3—C4—C5 | −1 (1) |
Symmetry codes: (i) −x+3/2, y−1/2, −z+1/2; (ii) −x+3/2, y+1/2, −z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W1···O4 | 0.90 | 2.13 | 3.00 (2) | 159 |
O1W—H1W2···O8iii | 0.90 | 2.22 | 2.64 (2) | 108 |
Symmetry code: (iii) x−1/2, −y+1/2, z+1/2. |
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