Each Cd atom in the title centrosymmetric dinuclear complex, [Cd
2(Hsal)
4(Him)
4] (where Hsal
− is the salicylate monoanion, C
7H
5O
3−, and Him is imidazole, C
3H
4N
2), shows a pentagonal–bipyramidal geometry. Five carboxylate O atoms of different salicylates and two imidazole N atoms are coordinated to each Cd atom. The two Cd atoms are bridged by two tridentate chelating salicylate ligands, and the Cd
Cd distance is 3.86 (3) Å. A two-dimensional layer structure is formed
via intermolecular hydrogen bonds.
Supporting information
CCDC reference: 223553
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.004 Å
- R factor = 0.026
- wR factor = 0.062
- Data-to-parameter ratio = 16.6
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cd1 - O1 .. 10.51 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cd1 - O5 .. 14.46 su
Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cd1 - O2 .. 7.96 su
0 ALERT level A = In general: serious problem
2 ALERT level B = Potentially serious problem
1 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
3 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Bis(µ-salicylato-
κ3O,
O':
O')bis[(imidazole-
κN3)(salicylato-
κ2O,
O')cadmium(II)]
top
Crystal data top
[Cd2(C7H5O3)4(C3H4N2)4] | Z = 1 |
Mr = 1045.57 | F(000) = 524 |
Triclinic, P1 | Dx = 1.681 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.339 (2) Å | Cell parameters from 9315 reflections |
b = 9.793 (2) Å | θ = 3.0–27.5° |
c = 12.251 (3) Å | µ = 1.10 mm−1 |
α = 79.21 (3)° | T = 293 K |
β = 86.28 (3)° | Prism, colourless |
γ = 69.76 (3)° | 0.35 × 0.24 × 0.18 mm |
V = 1032.7 (5) Å3 | |
Data collection top
Rigaku RAXIS-RAPID diffractometer | 4661 independent reflections |
Radiation source: fine-focus sealed tube | 4211 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.016 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
ω scans | h = −12→12 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −11→12 |
Tmin = 0.699, Tmax = 0.826 | l = −15→15 |
9420 measured reflections | |
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)] = 0.026 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.062 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.0349P)2 + 0.2931P] where P = (Fo2 + 2Fc2)/3 |
4661 reflections | (Δ/σ)max = 0.001 |
280 parameters | Δρmax = 0.80 e Å−3 |
0 restraints | Δρmin = −0.50 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cd1 | 0.05069 (2) | 0.81226 (2) | 0.09957 (1) | 0.03202 (6) | |
O1 | 0.1281 (2) | 0.5530 (2) | 0.2132 (1) | 0.0453 (4) | |
O2 | −0.0677 (2) | 0.7304 (2) | 0.2656 (1) | 0.0407 (4) | |
O3 | −0.2717 (2) | 0.6765 (2) | 0.3878 (2) | 0.0501 (4) | |
O4 | 0.2380 (2) | 0.7028 (2) | −0.0317 (1) | 0.0441 (4) | |
O5 | 0.1055 (2) | 0.9356 (2) | −0.0912 (1) | 0.0413 (4) | |
O6 | 0.4705 (2) | 0.5660 (2) | −0.1383 (2) | 0.0555 (5) | |
N1 | −0.1341 (2) | 0.7688 (2) | 0.0175 (1) | 0.0421 (4) | |
N2 | −0.2461 (3) | 0.6616 (3) | −0.0726 (2) | 0.0607 (6) | |
N3 | 0.2250 (2) | 0.8565 (2) | 0.1905 (1) | 0.0374 (4) | |
N4 | 0.4354 (2) | 0.8122 (3) | 0.2790 (1) | 0.0530 (5) | |
C1 | −0.0410 (2) | 0.4850 (2) | 0.3501 (2) | 0.0334 (4) | |
C2 | −0.1824 (2) | 0.5313 (3) | 0.4037 (2) | 0.0383 (5) | |
C3 | −0.2334 (3) | 0.4291 (3) | 0.4737 (2) | 0.0544 (6) | |
C4 | −0.1445 (4) | 0.2818 (3) | 0.4920 (2) | 0.0607 (7) | |
C5 | −0.0044 (4) | 0.2340 (3) | 0.4402 (3) | 0.0601 (7) | |
C6 | 0.0467 (3) | 0.3348 (3) | 0.3699 (2) | 0.0472 (6) | |
C7 | 0.0128 (2) | 0.5935 (2) | 0.2720 (2) | 0.0338 (4) | |
C8 | 0.3010 (2) | 0.8118 (2) | −0.2099 (2) | 0.0317 (4) | |
C9 | 0.4279 (2) | 0.6857 (2) | −0.2203 (2) | 0.0384 (5) | |
C10 | 0.5162 (3) | 0.6839 (3) | −0.3164 (2) | 0.0470 (6) | |
C11 | 0.4783 (3) | 0.8024 (3) | −0.4014 (2) | 0.0498 (6) | |
C12 | 0.3516 (3) | 0.9270 (3) | −0.3932 (2) | 0.0479 (6) | |
C13 | 0.2648 (3) | 0.9307 (2) | −0.2973 (2) | 0.0398 (5) | |
C14 | 0.2085 (2) | 0.8187 (2) | −0.1056 (2) | 0.0316 (4) | |
C15 | −0.1153 (3) | 0.6767 (3) | −0.0520 (2) | 0.0479 (6) | |
C16 | −0.3566 (4) | 0.7479 (4) | −0.0134 (3) | 0.0709 (9) | |
C17 | −0.2872 (3) | 0.8143 (4) | 0.0423 (3) | 0.0592 (7) | |
C18 | 0.3582 (3) | 0.7582 (3) | 0.2214 (2) | 0.0475 (6) | |
C19 | 0.3468 (3) | 0.9533 (3) | 0.2861 (2) | 0.0565 (7) | |
C20 | 0.2170 (3) | 0.9794 (3) | 0.2322 (2) | 0.0477 (6) | |
H3 | −0.3278 | 0.4600 | 0.5084 | 0.065* | |
H4 | −0.1788 | 0.2139 | 0.5397 | 0.073* | |
H5 | 0.0550 | 0.1343 | 0.4528 | 0.072* | |
H6 | 0.1408 | 0.3024 | 0.3351 | 0.057* | |
H10 | 0.6016 | 0.6014 | −0.3228 | 0.056* | |
H11 | 0.5379 | 0.7997 | −0.4653 | 0.060* | |
H12 | 0.3255 | 1.0070 | −0.4516 | 0.057* | |
H13 | 0.1806 | 1.0144 | −0.2913 | 0.048* | |
H15 | −0.0220 | 0.6282 | −0.0828 | 0.057* | |
H16 | −0.4597 | 0.7591 | −0.0114 | 0.085* | |
H17 | −0.3353 | 0.8803 | 0.0899 | 0.071* | |
H18 | 0.3941 | 0.6630 | 0.2052 | 0.057* | |
H19 | 0.3713 | 1.0186 | 0.3213 | 0.068* | |
H20 | 0.1344 | 1.0673 | 0.2243 | 0.057* | |
H21 | −0.2280 | 0.7254 | 0.3462 | 0.075* | |
H22 | 0.4097 | 0.5793 | −0.0866 | 0.083* | |
H23 | −0.2586 | 0.6069 | −0.1159 | 0.073* | |
H24 | 0.5252 | 0.7661 | 0.3067 | 0.064* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cd1 | 0.03330 (9) | 0.03102 (8) | 0.03074 (8) | −0.01015 (6) | 0.00409 (5) | −0.00590 (6) |
O1 | 0.0422 (9) | 0.0386 (8) | 0.0507 (9) | −0.0114 (7) | 0.0173 (7) | −0.0076 (7) |
O2 | 0.0451 (9) | 0.0295 (7) | 0.0407 (8) | −0.0070 (6) | 0.0076 (7) | −0.0036 (6) |
O3 | 0.0339 (8) | 0.0490 (9) | 0.061 (1) | −0.0065 (7) | 0.0119 (8) | −0.0120 (8) |
O4 | 0.0491 (9) | 0.0349 (8) | 0.0369 (8) | −0.0038 (7) | 0.0118 (7) | −0.0028 (7) |
O5 | 0.0389 (8) | 0.0326 (7) | 0.0442 (9) | −0.0019 (6) | 0.0113 (7) | −0.0104 (7) |
O6 | 0.055 (1) | 0.0363 (8) | 0.055 (1) | 0.0068 (7) | 0.0132 (8) | −0.0043 (8) |
N1 | 0.045 (1) | 0.043 (1) | 0.040 (1) | −0.0163 (8) | 0.0001 (8) | −0.0102 (9) |
N2 | 0.075 (2) | 0.050 (1) | 0.066 (2) | −0.026 (1) | −0.018 (1) | −0.016 (1) |
N3 | 0.0384 (9) | 0.0331 (9) | 0.040 (1) | −0.0102 (7) | −0.0017 (8) | −0.007 (8) |
N4 | 0.036 (1) | 0.063 (1) | 0.058 (1) | −0.013 (1) | −0.0064 (9) | −0.008 (1) |
C1 | 0.033 (1) | 0.032 (1) | 0.033 (1) | −0.0107 (8) | 0.0003 (8) | −0.0033 (8) |
C2 | 0.034 (1) | 0.045 (1) | 0.036 (1) | −0.0133 (9) | 0.0026 (9) | −0.010 (1) |
C3 | 0.051 (6) | 0.068 (2) | 0.052 (2) | −0.032 (1) | 0.014 (1) | −0.011 (1) |
C4 | 0.080 (2) | 0.060 (2) | 0.051 (2) | −0.044 (2) | 0.008 (1) | 0.003 (1) |
C5 | 0.068 (2) | 0.039 (1) | 0.069 (2) | −0.020 (1) | −0.000 (1) | 0.005 (1) |
C6 | 0.044 (1) | 0.035 (1) | 0.056 (1) | −0.009 (1) | 0.006 (1) | −0.003 (1) |
C7 | 0.035 (1) | 0.033 (1) | 0.032 (1) | −0.0096 (8) | 0.0012 (8) | −0.0054 (8) |
C8 | 0.030 (1) | 0.0321 (9) | 0.033 (1) | −0.0087 (8) | 0.0061 (8) | −0.0118 (8) |
C9 | 0.036 (1) | 0.035 (1) | 0.041 (1) | −0.0049 (9) | 0.0044 (9) | −0.0121 (9) |
C10 | 0.036 (1) | 0.051 (1) | 0.052 (1) | −0.007 (1) | 0.015 (1) | −0.023 (1) |
C11 | 0.049 (1) | 0.066 (2) | 0.042 (1) | −0.026 (1) | 0.019 (1) | −0.022 (1) |
C12 | 0.057 (2) | 0.050 (1) | 0.037 (1) | −0.022 (1) | 0.009 (1) | −0.004 (1) |
C13 | 0.042 (1) | 0.035 (1) | 0.039 (1) | −0.0089 (9) | 0.0070 (9) | −0.0077 (9) |
C14 | 0.030 (1) | 0.0309 (9) | 0.034 (1) | −0.0086 (8) | 0.0043 (8) | −0.0101 (8) |
C15 | 0.058 (2) | 0.036 (1) | 0.047 (1) | −0.011 (1) | −0.005 (1) | −0.009 (1) |
C16 | 0.052 (2) | 0.091 (2) | 0.082 (2) | −0.034 (2) | −0.005 (2) | −0.025 (2) |
C17 | 0.048 (2) | 0.075 (2) | 0.062 (2) | −0.022 (1) | 0.007 (1) | −0.028 (2) |
C18 | 0.040 (1) | 0.042 (1) | 0.056 (1) | −0.006 (1) | 0.001 (1) | −0.014 (1) |
C19 | 0.070 (2) | 0.051 (1) | 0.056 (2) | −0.026 (1) | −0.013 (1) | −0.011 (1) |
C20 | 0.058 (2) | 0.031 (1) | 0.051 (1) | −0.009 (1) | −0.012 (1) | −0.008 (1) |
Geometric parameters (Å, º) top
Cd1—N1 | 2.251 (2) | C1—C7 | 1.491 (3) |
Cd1—N3 | 2.232 (2) | C2—C3 | 1.386 (4) |
Cd1—O1 | 2.538 (2) | C3—C4 | 1.376 (4) |
Cd1—O2 | 2.390 (2) | C3—H3 | 0.9300 |
Cd1—O4 | 2.404 (2) | C4—C5 | 1.383 (4) |
Cd1—O5i | 2.381 (2) | C4—H4 | 0.9300 |
Cd1—O5 | 2.530 (2) | C5—C6 | 1.378 (4) |
O1—C7 | 1.243 (3) | C5—H5 | 0.9300 |
O2—C7 | 1.281 (3) | C6—H6 | 0.9300 |
O3—C2 | 1.361 (3) | C8—C13 | 1.387 (3) |
O3—H21 | 0.8200 | C8—C9 | 1.404 (3) |
O4—C14 | 1.270 (3) | C8—C14 | 1.494 (3) |
O5—C14 | 1.249 (2) | C9—C10 | 1.392 (3) |
O5—Cd1i | 2.381 (2) | C10—C11 | 1.367 (4) |
O6—C9 | 1.354 (3) | C10—H10 | 0.9300 |
O6—H22 | 0.8200 | C11—C12 | 1.389 (4) |
N1—C15 | 1.314 (3) | C11—H11 | 0.9300 |
N1—C17 | 1.374 (3) | C12—C13 | 1.383 (3) |
N2—C15 | 1.326 (4) | C12—H12 | 0.9300 |
N2—C16 | 1.355 (4) | C13—H13 | 0.9300 |
N2—H23 | 0.8600 | C15—H15 | 0.9300 |
N3—C18 | 1.309 (3) | C16—C17 | 1.351 (4) |
N3—C20 | 1.370 (3) | C16—H16 | 0.9300 |
N4—C18 | 1.329 (3) | C17—H17 | 0.9300 |
N4—C19 | 1.359 (4) | C18—H18 | 0.9300 |
N4—H24 | 0.8600 | C19—C20 | 1.341 (4) |
C1—C6 | 1.397 (3) | C19—H19 | 0.9300 |
C1—C2 | 1.402 (3) | C20—H20 | 0.9300 |
| | | |
N1—Cd1—O1 | 89.93 (7) | C5—C4—H4 | 119.7 |
N1—Cd1—O2 | 82.76 (7) | C5—C6—C1 | 120.9 (2) |
N1—Cd1—O4 | 91.76 (7) | C5—C6—H6 | 119.5 |
N1—Cd1—O5 | 86.54 (7) | C6—C1—C2 | 118.5 (2) |
N1—Cd1—O5i | 90.44 (7) | C6—C1—C7 | 120.9 (2) |
N3—Cd1—O1 | 89.10 (7) | C6—C5—C4 | 119.7 (3) |
N3—Cd1—O2 | 93.93 (7) | C6—C5—H5 | 120.2 |
N3—Cd1—O4 | 91.57 (7) | C7—O1—Cd1 | 89.3 (1) |
N3—Cd1—O5 | 96.49 (7) | C7—O2—Cd1 | 95.2 (1) |
N3—Cd1—O5i | 88.45 (7) | C8—C13—H13 | 119.4 |
N3—Cd1—N1 | 176.44 (7) | C9—O6—H22 | 109.5 |
N1—C15—N2 | 111.4 (2) | C9—C8—C14 | 120.5 (2) |
N1—C15—H15 | 124.3 | C9—C10—H10 | 119.8 |
N1—C17—H17 | 125.5 | C10—C11—C12 | 120.6 (2) |
N2—C15—H15 | 124.3 | C10—C11—H11 | 119.7 |
N2—C16—H16 | 126.8 | C10—C9—C8 | 119.6 (2) |
N3—C18—N4 | 111.2 (2) | C11—C10—C9 | 120.5 (2) |
N3—C18—H18 | 124.4 | C11—C10—H10 | 119.8 |
N3—C20—H20 | 125.3 | C11—C12—H12 | 120.4 |
N4—C18—H18 | 124.4 | C12—C13—C8 | 121.2 (2) |
N4—C19—H19 | 126.9 | C12—C13—H13 | 119.4 |
O1—C7—C1 | 121.7 (2) | C12—C11—H11 | 119.7 |
O1—C7—O2 | 121.3 (2) | C13—C8—C9 | 118.8 (2) |
O2—C7—C1 | 117.0 (2) | C13—C8—C14 | 120.7 (2) |
O2—Cd1—O1 | 52.93 (5) | C13—C12—C11 | 119.2 (2) |
O2—Cd1—O4 | 137.59 (5) | C13—C12—H12 | 120.4 |
O2—Cd1—O5 | 165.21 (5) | C14—O4—Cd1 | 95.9 (1) |
O3—C2—C1 | 120.8 (2) | C14—O5—Cd1i | 164.3 (2) |
O3—C2—C3 | 119.0 (2) | C14—O5—Cd1 | 90.5 (1) |
O4—Cd1—O1 | 85.21 (6) | C15—N1—C17 | 105.4 (2) |
O4—Cd1—O5 | 52.67 (5) | C15—N1—Cd1 | 126.8 (2) |
O4—C14—C8 | 118.3 (2) | C15—N2—C16 | 107.8 (2) |
O5i—Cd1—O1 | 146.03 (5) | C15—N2—H23 | 126.1 |
O5—Cd1—O1 | 137.51 (5) | C16—N2—H23 | 126.1 |
O5i—Cd1—O2 | 93.47 (6) | C16—C17—N1 | 109.1 (3) |
O5i—Cd1—O4 | 128.73 (6) | C16—C17—H17 | 125.5 |
O5i—Cd1—O5 | 76.39 (6) | C17—C16—N2 | 106.3 (3) |
O5—C14—C8 | 120.8 (2) | C17—C16—H16 | 126.8 |
O6—C9—C8 | 122.1 (2) | C17—N1—Cd1 | 127.1 (2) |
O6—C9—C10 | 118.3 (2) | C18—N3—C20 | 105.6 (2) |
C1—C6—H6 | 119.5 | C18—N3—Cd1 | 124.0 (2) |
C2—C1—C7 | 120.6 (2) | C18—N4—C19 | 107.6 (2) |
C2—C3—H3 | 120.0 | C18—N4—H24 | 126.2 |
C2—O3—H21 | 109.5 | C19—C20—N3 | 109.5 (2) |
C3—C4—C5 | 120.6 (3) | C19—C20—H20 | 125.3 |
C3—C4—H4 | 119.7 | C19—N4—H24 | 126.2 |
C3—C2—C1 | 120.2 (2) | C20—N3—Cd1 | 130.3 (2) |
C4—C3—C2 | 120.1 (2) | C20—C19—N4 | 106.2 (2) |
C4—C3—H3 | 120.0 | C20—C19—H19 | 126.9 |
C4—C5—H5 | 120.2 | Cd1i—O5—Cd1 | 103.61 (6) |
| | | |
Cd1—O1—C7—O2 | −11.2 (2) | O5i—Cd1—O2—C7 | 179.2 (1) |
Cd1—O1—C7—C1 | 166.7 (2) | O5i—Cd1—O4—C14 | −7.1 (2) |
Cd1—O2—C7—C1 | −166.1 (2) | O5—Cd1—O1—C7 | −159.4 (1) |
Cd1—O2—C7—O1 | 11.9 (2) | O5i—Cd1—O1—C7 | 16.1 (2) |
Cd1i—O5—C14—O4 | 155.9 (5) | O5—Cd1—O4—C14 | 0.6 (1) |
Cd1—O5—C14—O4 | 1.1 (2) | O5i—Cd1—O5—C14 | 173.2 (2) |
Cd1i—O5—C14—C8 | −23.8 (7) | O5i—Cd1—O5—Cd1i | 0.0 |
Cd1—O5—C14—C8 | −178.5 (2) | O5i—Cd1—N1—C15 | 145.8 (2) |
Cd1—O4—C14—O5 | −1.2 (2) | O5—Cd1—N1—C15 | 69.5 (2) |
Cd1—O4—C14—C8 | 178.5 (2) | O5i—Cd1—N1—C17 | −45.3 (2) |
Cd1—N1—C15—N2 | 171.0 (2) | O5—Cd1—N1—C17 | −121.6 (2) |
Cd1—N1—C17—C16 | −170.8 (2) | O5i—Cd1—N3—C18 | −177.1 (2) |
Cd1—N3—C18—N4 | −176.7 (2) | O5—Cd1—N3—C18 | −101.0 (2) |
Cd1—N3—C20—C19 | 176.6 (2) | O5i—Cd1—N3—C20 | 7.9 (2) |
N1—Cd1—O1—C7 | −74.6 (1) | O5—Cd1—N3—C20 | 84.0 (2) |
N1—Cd1—O2—C7 | 89.2 (1) | O6—C9—C10—C11 | −179.7 (2) |
N1—Cd1—O4—C14 | 84.9 (1) | C1—C2—C3—C4 | 0.8 (4) |
N1—Cd1—O5—C14 | −95.5 (1) | C2—C3—C4—C5 | −0.6 (5) |
N1—Cd1—O5—Cd1i | 91.30 (8) | C2—C1—C7—O1 | −170.9 (2) |
N2—C16—C17—N1 | −0.1 (4) | C2—C1—C6—C5 | 0.1 (4) |
N3—Cd1—O5—Cd1i | −86.81 (7) | C2—C1—C7—O2 | 7.1 (3) |
N3—Cd1—O5—C14 | 86.4 (1) | C3—C4—C5—C6 | 0.2 (5) |
N3—Cd1—O4—C14 | −96.3 (1) | C4—C5—C6—C1 | 0.1 (5) |
N3—Cd1—O2—C7 | −92.1 (1) | C6—C1—C2—O3 | 179.6 (2) |
N3—Cd1—O1—C7 | 102.0 (1) | C6—C1—C2—C3 | −0.5 (3) |
N4—C19—C20—N3 | −0.7 (3) | C6—C1—C7—O1 | 7.8 (3) |
O1—Cd1—O2—C7 | −6.2 (1) | C6—C1—C7—O2 | −174.2 (2) |
O1—Cd1—O4—C14 | 174.7 (1) | C7—C1—C2—C3 | 178.1 (2) |
O1—Cd1—O5—C14 | −9.4 (2) | C7—C1—C2—O3 | −1.8 (3) |
O1—Cd1—O5—Cd1i | 177.41 (6) | C7—C1—C6—C5 | −178.6 (2) |
O1—Cd1—N1—C15 | −68.1 (2) | C8—C9—C10—C11 | −1.4 (4) |
O1—Cd1—N1—C17 | 100.8 (2) | C9—C10—C11—C12 | 0.3 (4) |
O1—Cd1—N3—C18 | 36.7 (2) | C9—C8—C13—C12 | −0.4 (4) |
O1—Cd1—N3—C20 | −138.2 (2) | C9—C8—C14—O5 | 172.6 (2) |
O2—Cd1—O1—C7 | 6.4 (1) | C9—C8—C14—O4 | −7.1 (3) |
O2—Cd1—O4—C14 | 166.1 (1) | C10—C11—C12—C13 | 0.8 (4) |
O2—Cd1—O5—C14 | −139.1 (2) | C11—C12—C13—C8 | −0.7 (4) |
O2—Cd1—O5—Cd1i | 47.7 (2) | C13—C8—C9—O6 | 179.6 (2) |
O2—Cd1—N1—C15 | −120.7 (2) | C13—C8—C9—C10 | 1.4 (3) |
O2—Cd1—N1—C17 | 48.2 (2) | C13—C8—C14—O5 | −6.2 (3) |
O2—Cd1—N3—C18 | 89.5 (2) | C13—C8—C14—O4 | 174.1 (2) |
O2—Cd1—N3—C20 | −85.5 (2) | C14—C8—C9—C10 | −177.4 (2) |
O3—C2—C3—C4 | −179.3 (2) | C14—C8—C9—O6 | 0.8 (3) |
O4—Cd1—N3—C20 | 136.6 (2) | C14—C8—C13—C12 | 178.4 (2) |
O4—Cd1—N3—C18 | −48.4 (2) | C15—N2—C16—C17 | 0.2 (4) |
O4—Cd1—N1—C17 | −174.0 (2) | C15—N1—C17—C16 | 0.0 (3) |
O4—Cd1—N1—C15 | 17.1 (2) | C16—N2—C15—N1 | −0.2 (3) |
O4—Cd1—O5—Cd1i | −173.8 (1) | C17—N1—C15—N2 | 0.2 (3) |
O4—Cd1—O5—C14 | −0.6 (1) | C18—N3—C20—C19 | 0.9 (3) |
O4—Cd1—O1—C7 | −166.3 (1) | C18—N4—C19—C20 | 0.3 (3) |
O4—Cd1—O2—C7 | 4.5 (2) | C19—N4—C18—N3 | 0.3 (3) |
O5—Cd1—O2—C7 | 133.1 (2) | C20—N3—C18—N4 | −0.7 (3) |
Symmetry code: (i) −x, −y+2, −z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O3—H21···O2 | 0.82 | 1.75 | 2.486 (2) | 149 |
O6—H22···O4 | 0.82 | 1.82 | 2.547 (2) | 147 |
N2—H23···O1ii | 0.86 | 2.13 | 2.847 (3) | 140 |
N4—H24···O3iii | 0.86 | 2.03 | 2.884 (3) | 172 |
Symmetry codes: (ii) −x, −y+1, −z; (iii) x+1, y, z. |