| Literature DB >> 21582341 |
Hai-Xing Liu, Fang-Fang Jian, Jing Wang.
Abstract
In the title compound, [Cd(2)Cr(2)O(8)(C(12)H(8)N(2))(4)]·2H(2)O, which was obtained by hydro-thermal reaction of CdCO(3) and phenanthroline with K(2)CrO(4) at 393 K, two distorted Cd(N(4)O(2)) octa-hedra are linked through μ(2)-bridging chromate anions, forming a centrosymmetric tetra-nuclear eight-membered ring complex. The water mol-ecules link the chromate O atoms via inter-molecular O-H⋯O hydrogen bonds. These aggregates pack to a three-dimensional network through weak inter-molecular C-H⋯O and C-H⋯π hydrogen-bonding contacts.Entities:
Year: 2009 PMID: 21582341 PMCID: PMC2968914 DOI: 10.1107/S160053680900823X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cd2Cr2O8(C12H8N2)4]·2H2O | |
| Monoclinic, | Mo |
| Cell parameters from 1518 reflections | |
| θ = 2.3–25.0° | |
| µ = 1.48 mm−1 | |
| β = 91.928 (1)° | |
| Prism, yellow | |
| 0.13 × 0.08 × 0.05 mm |
| Bruker SMART CCD area-detector diffractometer | 3922 independent reflections |
| Radiation source: fine-focus sealed tube | 2145 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.0°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 11590 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 3922 reflections | (Δ/σ)max = 0.001 |
| 316 parameters | Δρmax = 0.50 e Å−3 |
| 0 restraints | Δρmin = −0.52 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 |
| Cd1 | 0.54305 (4) | 0.67292 (3) | 0.58619 (3) | 0.03350 (14) | |
| N1 | 0.5517 (4) | 0.7535 (3) | 0.7310 (3) | 0.0336 (13) | |
| N2 | 0.7407 (4) | 0.6723 (3) | 0.6487 (3) | 0.0345 (12) | |
| N3 | 0.6012 (5) | 0.8015 (3) | 0.4851 (4) | 0.0439 (15) | |
| N4 | 0.3768 (4) | 0.7747 (3) | 0.5434 (3) | 0.0359 (13) | |
| O1 | 0.6078 (4) | 0.5715 (3) | 0.4790 (3) | 0.0484 (13) | |
| O2 | 0.4197 (3) | 0.5701 (3) | 0.6521 (3) | 0.0407 (12) | |
| O3 | 0.7995 (3) | 0.4755 (3) | 0.4225 (3) | 0.0453 (12) | |
| O4 | 0.6869 (3) | 0.5992 (3) | 0.3082 (3) | 0.0482 (12) | |
| O5 | 0.9994 (4) | 1.0021 (3) | 1.3274 (3) | 0.0759 (16) | |
| H5A | 0.9990 | 0.9605 | 1.2840 | 0.091* | |
| H5B | 0.9505 | 1.0471 | 1.3117 | 0.091* | |
| Cr1 | 0.66961 (8) | 0.51967 (7) | 0.38910 (7) | 0.0325 (3) | |
| C1 | 0.4611 (5) | 0.7872 (4) | 0.7770 (4) | 0.0391 (17) | |
| H1 | 0.3848 | 0.7689 | 0.7570 | 0.047* | |
| C2 | 0.4718 (6) | 0.8482 (4) | 0.8532 (4) | 0.0436 (18) | |
| H2 | 0.4043 | 0.8706 | 0.8819 | 0.052* | |
| C3 | 0.5821 (6) | 0.8746 (4) | 0.8852 (4) | 0.0431 (18) | |
| H3 | 0.5907 | 0.9143 | 0.9368 | 0.052* | |
| C4 | 0.6834 (5) | 0.8415 (4) | 0.8399 (4) | 0.0341 (15) | |
| C5 | 0.6630 (5) | 0.7787 (4) | 0.7641 (4) | 0.0276 (15) | |
| C6 | 0.7639 (5) | 0.7354 (4) | 0.7186 (4) | 0.0276 (15) | |
| C7 | 0.8814 (6) | 0.7601 (4) | 0.7509 (4) | 0.0346 (16) | |
| C8 | 0.9753 (6) | 0.7126 (4) | 0.7098 (4) | 0.0429 (18) | |
| H8 | 1.0533 | 0.7264 | 0.7289 | 0.051* | |
| C9 | 0.9533 (6) | 0.6458 (4) | 0.6413 (5) | 0.049 (2) | |
| H9 | 1.0154 | 0.6119 | 0.6152 | 0.059* | |
| C10 | 0.8346 (6) | 0.6298 (4) | 0.6116 (4) | 0.0391 (17) | |
| H10 | 0.8206 | 0.5869 | 0.5629 | 0.047* | |
| C11 | 0.8043 (6) | 0.8687 (4) | 0.8675 (4) | 0.0435 (18) | |
| H11 | 0.8177 | 0.9134 | 0.9149 | 0.052* | |
| C12 | 0.8964 (5) | 0.8294 (5) | 0.8249 (4) | 0.0423 (16) | |
| H12 | 0.9732 | 0.8475 | 0.8437 | 0.051* | |
| C13 | 0.7115 (6) | 0.8143 (5) | 0.4542 (4) | 0.053 (2) | |
| H13 | 0.7723 | 0.7738 | 0.4766 | 0.063* | |
| C14 | 0.7391 (7) | 0.8865 (5) | 0.3892 (5) | 0.060 (2) | |
| H14 | 0.8168 | 0.8932 | 0.3700 | 0.072* | |
| C15 | 0.6527 (6) | 0.9458 (5) | 0.3549 (5) | 0.052 (2) | |
| H15 | 0.6705 | 0.9934 | 0.3119 | 0.063* | |
| C16 | 0.5359 (6) | 0.9354 (5) | 0.3845 (4) | 0.0423 (18) | |
| C17 | 0.5154 (6) | 0.8613 (4) | 0.4499 (4) | 0.0380 (17) | |
| C18 | 0.3954 (5) | 0.8468 (4) | 0.4803 (4) | 0.0306 (15) | |
| C19 | 0.3029 (6) | 0.9051 (4) | 0.4452 (4) | 0.0396 (18) | |
| C20 | 0.1869 (6) | 0.8889 (5) | 0.4757 (4) | 0.050 (2) | |
| H20 | 0.1234 | 0.9270 | 0.4540 | 0.060* | |
| C21 | 0.1692 (5) | 0.8152 (5) | 0.5387 (5) | 0.0480 (18) | |
| H21 | 0.0935 | 0.8025 | 0.5598 | 0.058* | |
| C22 | 0.2666 (6) | 0.7604 (5) | 0.5700 (4) | 0.0460 (19) | |
| H22 | 0.2535 | 0.7107 | 0.6122 | 0.055* | |
| C23 | 0.4397 (7) | 0.9928 (5) | 0.3503 (5) | 0.054 (2) | |
| H23 | 0.4540 | 1.0412 | 0.3071 | 0.065* | |
| C24 | 0.3285 (6) | 0.9795 (5) | 0.3783 (4) | 0.053 (2) | |
| H24 | 0.2671 | 1.0185 | 0.3544 | 0.064* |
| Cd1 | 0.0289 (2) | 0.0347 (3) | 0.0369 (3) | 0.0001 (3) | 0.0019 (2) | −0.0027 (3) |
| N1 | 0.021 (3) | 0.046 (3) | 0.034 (3) | 0.003 (3) | 0.003 (3) | −0.002 (3) |
| N2 | 0.037 (3) | 0.032 (3) | 0.034 (3) | 0.011 (3) | 0.002 (3) | −0.008 (3) |
| N3 | 0.039 (3) | 0.041 (4) | 0.053 (4) | 0.005 (3) | 0.011 (3) | −0.003 (3) |
| N4 | 0.035 (3) | 0.034 (3) | 0.039 (4) | 0.002 (3) | 0.000 (3) | 0.008 (3) |
| O1 | 0.044 (3) | 0.051 (3) | 0.050 (3) | −0.002 (2) | 0.007 (2) | −0.018 (2) |
| O2 | 0.043 (3) | 0.037 (3) | 0.043 (3) | −0.015 (2) | 0.003 (2) | −0.005 (2) |
| O3 | 0.027 (3) | 0.052 (3) | 0.057 (3) | 0.010 (2) | 0.003 (2) | 0.004 (2) |
| O4 | 0.042 (3) | 0.049 (3) | 0.054 (3) | −0.004 (2) | 0.003 (2) | 0.019 (2) |
| O5 | 0.079 (4) | 0.088 (4) | 0.059 (4) | 0.000 (3) | −0.019 (3) | 0.011 (3) |
| Cr1 | 0.0274 (6) | 0.0340 (6) | 0.0361 (7) | −0.0011 (5) | 0.0021 (5) | 0.0003 (5) |
| C1 | 0.030 (4) | 0.039 (4) | 0.048 (5) | 0.000 (3) | 0.005 (4) | 0.005 (3) |
| C2 | 0.044 (4) | 0.042 (5) | 0.046 (5) | 0.009 (4) | 0.006 (4) | −0.008 (3) |
| C3 | 0.059 (5) | 0.037 (4) | 0.033 (4) | 0.008 (4) | 0.001 (4) | −0.012 (3) |
| C4 | 0.044 (4) | 0.025 (4) | 0.033 (4) | 0.002 (3) | −0.001 (3) | 0.002 (3) |
| C5 | 0.034 (4) | 0.021 (3) | 0.028 (4) | 0.002 (3) | −0.002 (3) | 0.002 (3) |
| C6 | 0.026 (4) | 0.030 (4) | 0.027 (4) | −0.008 (3) | 0.002 (3) | −0.004 (3) |
| C7 | 0.032 (4) | 0.039 (4) | 0.033 (4) | 0.001 (3) | −0.002 (3) | 0.002 (3) |
| C8 | 0.029 (4) | 0.053 (5) | 0.047 (5) | −0.005 (4) | −0.001 (4) | 0.012 (4) |
| C9 | 0.035 (4) | 0.052 (5) | 0.061 (5) | 0.007 (4) | 0.017 (4) | 0.009 (4) |
| C10 | 0.041 (4) | 0.044 (4) | 0.033 (4) | −0.001 (4) | 0.009 (4) | −0.001 (3) |
| C11 | 0.050 (5) | 0.043 (4) | 0.037 (4) | −0.017 (4) | −0.009 (4) | −0.008 (3) |
| C12 | 0.033 (4) | 0.051 (4) | 0.042 (4) | −0.008 (4) | −0.010 (3) | 0.011 (4) |
| C13 | 0.048 (5) | 0.045 (5) | 0.067 (5) | 0.003 (4) | 0.017 (4) | −0.004 (4) |
| C14 | 0.051 (5) | 0.064 (6) | 0.067 (6) | −0.017 (5) | 0.023 (5) | 0.009 (4) |
| C15 | 0.063 (5) | 0.039 (5) | 0.055 (5) | 0.003 (4) | 0.014 (5) | 0.004 (4) |
| C16 | 0.057 (5) | 0.038 (4) | 0.033 (4) | −0.008 (4) | 0.009 (4) | 0.001 (3) |
| C17 | 0.038 (4) | 0.036 (4) | 0.039 (4) | 0.003 (4) | 0.005 (4) | −0.006 (3) |
| C18 | 0.037 (4) | 0.022 (4) | 0.033 (4) | −0.004 (3) | 0.001 (3) | −0.003 (3) |
| C19 | 0.048 (5) | 0.032 (4) | 0.039 (5) | −0.003 (4) | 0.000 (4) | −0.001 (3) |
| C20 | 0.048 (5) | 0.049 (5) | 0.053 (5) | 0.018 (4) | −0.004 (4) | −0.005 (4) |
| C21 | 0.032 (4) | 0.049 (5) | 0.063 (5) | 0.002 (4) | −0.005 (4) | 0.007 (4) |
| C22 | 0.046 (5) | 0.052 (5) | 0.040 (5) | −0.004 (4) | 0.008 (4) | 0.003 (4) |
| C23 | 0.075 (6) | 0.040 (5) | 0.049 (5) | −0.005 (5) | 0.008 (5) | 0.015 (4) |
| C24 | 0.060 (5) | 0.050 (5) | 0.048 (5) | 0.004 (4) | −0.006 (4) | 0.009 (4) |
| Cd1—O2 | 2.215 (4) | C7—C8 | 1.390 (7) |
| Cd1—O1 | 2.226 (4) | C7—C12 | 1.440 (8) |
| Cd1—N2 | 2.370 (5) | C8—C9 | 1.367 (8) |
| Cd1—N1 | 2.376 (5) | C8—H8 | 0.9300 |
| Cd1—N4 | 2.394 (5) | C9—C10 | 1.405 (8) |
| Cd1—N3 | 2.397 (5) | C9—H9 | 0.9300 |
| N1—C1 | 1.319 (6) | C10—H10 | 0.9300 |
| N1—C5 | 1.369 (7) | C11—C12 | 1.336 (7) |
| N2—C10 | 1.334 (6) | C11—H11 | 0.9300 |
| N2—C6 | 1.353 (6) | C12—H12 | 0.9300 |
| N3—C13 | 1.344 (7) | C13—C14 | 1.408 (8) |
| N3—C17 | 1.352 (7) | C13—H13 | 0.9300 |
| N4—C22 | 1.324 (7) | C14—C15 | 1.348 (8) |
| N4—C18 | 1.369 (6) | C14—H14 | 0.9300 |
| O1—Cr1 | 1.660 (4) | C15—C16 | 1.401 (8) |
| O2—Cr1i | 1.683 (4) | C15—H15 | 0.9300 |
| O3—Cr1 | 1.638 (4) | C16—C23 | 1.412 (9) |
| O4—Cr1 | 1.619 (4) | C16—C17 | 1.415 (8) |
| O5—H5A | 0.8501 | C17—C18 | 1.445 (7) |
| O5—H5B | 0.8500 | C18—C19 | 1.394 (8) |
| Cr1—O2i | 1.683 (4) | C19—C20 | 1.408 (8) |
| C1—C2 | 1.388 (7) | C19—C24 | 1.442 (8) |
| C1—H1 | 0.9300 | C20—C21 | 1.381 (7) |
| C2—C3 | 1.357 (8) | C20—H20 | 0.9300 |
| C2—H2 | 0.9300 | C21—C22 | 1.390 (8) |
| C3—C4 | 1.408 (7) | C21—H21 | 0.9300 |
| C3—H3 | 0.9300 | C22—H22 | 0.9300 |
| C4—C5 | 1.410 (7) | C23—C24 | 1.339 (8) |
| C4—C11 | 1.452 (8) | C23—H23 | 0.9300 |
| C5—C6 | 1.456 (7) | C24—H24 | 0.9300 |
| C6—C7 | 1.426 (8) | ||
| O2—Cd1—O1 | 97.47 (13) | C8—C7—C6 | 117.1 (6) |
| O2—Cd1—N2 | 115.01 (15) | C8—C7—C12 | 123.9 (6) |
| O1—Cd1—N2 | 86.70 (15) | C6—C7—C12 | 119.0 (5) |
| O2—Cd1—N1 | 85.37 (15) | C9—C8—C7 | 120.3 (6) |
| O1—Cd1—N1 | 154.79 (16) | C9—C8—H8 | 119.9 |
| N2—Cd1—N1 | 69.64 (15) | C7—C8—H8 | 119.9 |
| O2—Cd1—N4 | 89.34 (15) | C8—C9—C10 | 118.3 (6) |
| O1—Cd1—N4 | 116.81 (16) | C8—C9—H9 | 120.9 |
| N2—Cd1—N4 | 144.46 (17) | C10—C9—H9 | 120.9 |
| N1—Cd1—N4 | 88.19 (16) | N2—C10—C9 | 124.3 (6) |
| O2—Cd1—N3 | 156.75 (17) | N2—C10—H10 | 117.9 |
| O1—Cd1—N3 | 85.81 (15) | C9—C10—H10 | 117.9 |
| N2—Cd1—N3 | 88.10 (17) | C12—C11—C4 | 120.0 (6) |
| N1—Cd1—N3 | 101.44 (17) | C12—C11—H11 | 120.0 |
| N4—Cd1—N3 | 68.90 (17) | C4—C11—H11 | 120.0 |
| C1—N1—C5 | 116.4 (5) | C11—C12—C7 | 122.6 (6) |
| C1—N1—Cd1 | 127.0 (4) | C11—C12—H12 | 118.7 |
| C5—N1—Cd1 | 116.0 (4) | C7—C12—H12 | 118.7 |
| C10—N2—C6 | 116.6 (5) | N3—C13—C14 | 122.8 (6) |
| C10—N2—Cd1 | 126.1 (4) | N3—C13—H13 | 118.6 |
| C6—N2—Cd1 | 116.1 (4) | C14—C13—H13 | 118.6 |
| C13—N3—C17 | 116.6 (5) | C15—C14—C13 | 119.9 (7) |
| C13—N3—Cd1 | 125.1 (5) | C15—C14—H14 | 120.0 |
| C17—N3—Cd1 | 118.1 (4) | C13—C14—H14 | 120.0 |
| C22—N4—C18 | 117.9 (5) | C14—C15—C16 | 119.7 (7) |
| C22—N4—Cd1 | 124.5 (4) | C14—C15—H15 | 120.2 |
| C18—N4—Cd1 | 117.3 (4) | C16—C15—H15 | 120.2 |
| Cr1—O1—Cd1 | 166.5 (2) | C15—C16—C23 | 123.3 (6) |
| Cr1i—O2—Cd1 | 133.1 (2) | C15—C16—C17 | 117.0 (7) |
| H5A—O5—H5B | 107.4 | C23—C16—C17 | 119.7 (6) |
| O4—Cr1—O3 | 109.6 (2) | N3—C17—C16 | 124.0 (6) |
| O4—Cr1—O1 | 110.4 (2) | N3—C17—C18 | 117.5 (6) |
| O3—Cr1—O1 | 108.4 (2) | C16—C17—C18 | 118.5 (6) |
| O4—Cr1—O2i | 108.5 (2) | N4—C18—C19 | 122.0 (5) |
| O3—Cr1—O2i | 110.5 (2) | N4—C18—C17 | 117.9 (6) |
| O1—Cr1—O2i | 109.40 (18) | C19—C18—C17 | 120.1 (6) |
| N1—C1—C2 | 124.5 (6) | C18—C19—C20 | 118.7 (6) |
| N1—C1—H1 | 117.7 | C18—C19—C24 | 119.2 (6) |
| C2—C1—H1 | 117.7 | C20—C19—C24 | 122.1 (7) |
| C3—C2—C1 | 119.1 (6) | C21—C20—C19 | 118.6 (6) |
| C3—C2—H2 | 120.4 | C21—C20—H20 | 120.7 |
| C1—C2—H2 | 120.4 | C19—C20—H20 | 120.7 |
| C2—C3—C4 | 119.7 (6) | C20—C21—C22 | 118.9 (6) |
| C2—C3—H3 | 120.1 | C20—C21—H21 | 120.6 |
| C4—C3—H3 | 120.1 | C22—C21—H21 | 120.6 |
| C3—C4—C5 | 116.7 (6) | N4—C22—C21 | 123.9 (6) |
| C3—C4—C11 | 123.4 (6) | N4—C22—H22 | 118.1 |
| C5—C4—C11 | 119.9 (5) | C21—C22—H22 | 118.1 |
| N1—C5—C4 | 123.4 (5) | C24—C23—C16 | 121.8 (6) |
| N1—C5—C6 | 117.0 (5) | C24—C23—H23 | 119.1 |
| C4—C5—C6 | 119.6 (6) | C16—C23—H23 | 119.1 |
| N2—C6—C7 | 123.4 (5) | C23—C24—C19 | 120.7 (7) |
| N2—C6—C5 | 117.9 (5) | C23—C24—H24 | 119.7 |
| C7—C6—C5 | 118.7 (5) | C19—C24—H24 | 119.7 |
| O2—Cd1—N1—C1 | −55.4 (5) | C11—C4—C5—N1 | −176.7 (5) |
| O1—Cd1—N1—C1 | −153.1 (4) | C3—C4—C5—C6 | −175.1 (5) |
| N2—Cd1—N1—C1 | −174.2 (5) | C11—C4—C5—C6 | 4.8 (9) |
| N4—Cd1—N1—C1 | 34.1 (5) | C10—N2—C6—C7 | 2.1 (8) |
| N3—Cd1—N1—C1 | 102.1 (5) | Cd1—N2—C6—C7 | −166.0 (5) |
| O2—Cd1—N1—C5 | 133.8 (4) | C10—N2—C6—C5 | −176.5 (5) |
| O1—Cd1—N1—C5 | 36.1 (6) | Cd1—N2—C6—C5 | 15.3 (6) |
| N2—Cd1—N1—C5 | 15.0 (4) | N1—C5—C6—N2 | −1.5 (8) |
| N4—Cd1—N1—C5 | −136.7 (4) | C4—C5—C6—N2 | 177.2 (5) |
| N3—Cd1—N1—C5 | −68.6 (4) | N1—C5—C6—C7 | 179.8 (5) |
| O2—Cd1—N2—C10 | 102.9 (4) | C4—C5—C6—C7 | −1.5 (8) |
| O1—Cd1—N2—C10 | 6.2 (5) | N2—C6—C7—C8 | −2.7 (9) |
| N1—Cd1—N2—C10 | 177.3 (5) | C5—C6—C7—C8 | 175.9 (5) |
| N4—Cd1—N2—C10 | −127.9 (4) | N2—C6—C7—C12 | 179.1 (5) |
| N3—Cd1—N2—C10 | −79.7 (5) | C5—C6—C7—C12 | −2.3 (9) |
| O2—Cd1—N2—C6 | −90.2 (4) | C6—C7—C8—C9 | 0.2 (9) |
| O1—Cd1—N2—C6 | 173.1 (4) | C12—C7—C8—C9 | 178.3 (6) |
| N1—Cd1—N2—C6 | −15.8 (4) | C7—C8—C9—C10 | 2.6 (9) |
| N4—Cd1—N2—C6 | 38.9 (5) | C6—N2—C10—C9 | 0.9 (9) |
| N3—Cd1—N2—C6 | 87.2 (4) | Cd1—N2—C10—C9 | 167.7 (5) |
| O2—Cd1—N3—C13 | −156.8 (4) | C8—C9—C10—N2 | −3.3 (10) |
| O1—Cd1—N3—C13 | −57.6 (5) | C3—C4—C11—C12 | 175.7 (6) |
| N2—Cd1—N3—C13 | 29.2 (5) | C5—C4—C11—C12 | −4.2 (9) |
| N1—Cd1—N3—C13 | 98.0 (5) | C4—C11—C12—C7 | 0.3 (10) |
| N4—Cd1—N3—C13 | −178.5 (5) | C8—C7—C12—C11 | −175.1 (6) |
| O2—Cd1—N3—C17 | 17.3 (7) | C6—C7—C12—C11 | 3.0 (10) |
| O1—Cd1—N3—C17 | 116.5 (5) | C17—N3—C13—C14 | 0.7 (10) |
| N2—Cd1—N3—C17 | −156.7 (5) | Cd1—N3—C13—C14 | 174.9 (5) |
| N1—Cd1—N3—C17 | −87.9 (5) | N3—C13—C14—C15 | −0.5 (11) |
| N4—Cd1—N3—C17 | −4.4 (4) | C13—C14—C15—C16 | 0.2 (11) |
| O2—Cd1—N4—C22 | 6.7 (5) | C14—C15—C16—C23 | −178.3 (7) |
| O1—Cd1—N4—C22 | 104.8 (5) | C14—C15—C16—C17 | −0.2 (10) |
| N2—Cd1—N4—C22 | −128.6 (5) | C13—N3—C17—C16 | −0.7 (9) |
| N1—Cd1—N4—C22 | −78.7 (5) | Cd1—N3—C17—C16 | −175.3 (5) |
| N3—Cd1—N4—C22 | 178.3 (5) | C13—N3—C17—C18 | 178.2 (5) |
| O2—Cd1—N4—C18 | −166.9 (4) | Cd1—N3—C17—C18 | 3.6 (7) |
| O1—Cd1—N4—C18 | −68.8 (4) | C15—C16—C17—N3 | 0.4 (10) |
| N2—Cd1—N4—C18 | 57.8 (5) | C23—C16—C17—N3 | 178.6 (6) |
| N1—Cd1—N4—C18 | 107.8 (4) | C15—C16—C17—C18 | −178.5 (6) |
| N3—Cd1—N4—C18 | 4.8 (4) | C23—C16—C17—C18 | −0.3 (9) |
| O2—Cd1—O1—Cr1 | 168.8 (11) | C22—N4—C18—C19 | 0.9 (9) |
| N2—Cd1—O1—Cr1 | −76.4 (11) | Cd1—N4—C18—C19 | 174.9 (4) |
| N1—Cd1—O1—Cr1 | −96.2 (12) | C22—N4—C18—C17 | −178.9 (5) |
| N4—Cd1—O1—Cr1 | 75.7 (11) | Cd1—N4—C18—C17 | −4.9 (7) |
| N3—Cd1—O1—Cr1 | 11.9 (11) | N3—C17—C18—N4 | 0.8 (8) |
| O1—Cd1—O2—Cr1i | −35.6 (3) | C16—C17—C18—N4 | 179.8 (5) |
| N2—Cd1—O2—Cr1i | −125.5 (3) | N3—C17—C18—C19 | −178.9 (6) |
| N1—Cd1—O2—Cr1i | 169.6 (3) | C16—C17—C18—C19 | 0.1 (9) |
| N4—Cd1—O2—Cr1i | 81.3 (3) | N4—C18—C19—C20 | −0.1 (9) |
| N3—Cd1—O2—Cr1i | 61.2 (5) | C17—C18—C19—C20 | 179.7 (5) |
| Cd1—O1—Cr1—O4 | −24.0 (12) | N4—C18—C19—C24 | −179.6 (5) |
| Cd1—O1—Cr1—O3 | 96.1 (11) | C17—C18—C19—C24 | 0.2 (9) |
| Cd1—O1—Cr1—O2i | −143.3 (11) | C18—C19—C20—C21 | −0.6 (9) |
| C5—N1—C1—C2 | 2.4 (9) | C24—C19—C20—C21 | 178.9 (6) |
| Cd1—N1—C1—C2 | −168.3 (4) | C19—C20—C21—C22 | 0.4 (10) |
| N1—C1—C2—C3 | −1.4 (10) | C18—N4—C22—C21 | −1.0 (10) |
| C1—C2—C3—C4 | 1.2 (10) | Cd1—N4—C22—C21 | −174.6 (5) |
| C2—C3—C4—C5 | −2.2 (9) | C20—C21—C22—N4 | 0.4 (11) |
| C2—C3—C4—C11 | 177.9 (6) | C15—C16—C23—C24 | 178.3 (7) |
| C1—N1—C5—C4 | −3.5 (8) | C17—C16—C23—C24 | 0.2 (11) |
| Cd1—N1—C5—C4 | 168.3 (4) | C16—C23—C24—C19 | 0.0 (11) |
| C1—N1—C5—C6 | 175.1 (5) | C18—C19—C24—C23 | −0.2 (10) |
| Cd1—N1—C5—C6 | −13.1 (6) | C20—C19—C24—C23 | −179.7 (6) |
| C3—C4—C5—N1 | 3.4 (9) |
| H··· | ||||
| O5—H5A···O2ii | 0.85 | 2.13 | 2.849 (6) | 142 |
| O5—H5B···O4iii | 0.85 | 2.40 | 3.122 (6) | 144 |
| C2—H2···O3iv | 0.93 | 2.49 | 3.274 (7) | 142 |
| C3—H3···O3iii | 0.93 | 2.50 | 3.352 (8) | 153 |
| C9—H9···O3v | 0.93 | 2.48 | 3.391 (7) | 168 |
| C10—H10···O3 | 0.93 | 2.55 | 3.478 (7) | 175 |
| C12—H12···O4ii | 0.93 | 2.58 | 3.423 (7) | 151 |
| C20—H20···O5vi | 0.93 | 2.49 | 3.344 (8) | 152 |
| C8—H8···Cg2ii | 0.93 | 3.07 | 3.638 (7) | 113 |
| C12—H12···Cg3ii | 0.93 | 3.03 | 3.277 (7) | 95 |
| C23—H23···Cg1vii | 0.93 | 2.61 | 3.509 (7) | 164 |
Selected geometric parameters (Å, °)
| Cd1—O2 | 2.215 (4) |
| Cd1—O1 | 2.226 (4) |
| Cd1—N2 | 2.370 (5) |
| Cd1—N1 | 2.376 (5) |
| Cd1—N4 | 2.394 (5) |
| Cd1—N3 | 2.397 (5) |
| O1—Cr1 | 1.660 (4) |
| O2—Cr1i | 1.683 (4) |
| O3—Cr1 | 1.638 (4) |
| O4—Cr1 | 1.619 (4) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O5—H5 | 0.85 | 2.13 | 2.849 (6) | 142 |
| O5—H5 | 0.85 | 2.40 | 3.122 (6) | 144 |
| C2—H2⋯O3iv | 0.93 | 2.49 | 3.274 (7) | 142 |
| C3—H3⋯O3iii | 0.93 | 2.50 | 3.352 (8) | 153 |
| C9—H9⋯O3v | 0.93 | 2.48 | 3.391 (7) | 168 |
| C10—H10⋯O3 | 0.93 | 2.55 | 3.478 (7) | 175 |
| C12—H12⋯O4ii | 0.93 | 2.58 | 3.423 (7) | 151 |
| C20—H20⋯O5vi | 0.93 | 2.49 | 3.344 (8) | 152 |
| C23—H23⋯ | 0.93 | 2.61 | 3.509 (7) | 164 |
Symmetry codes: (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) . Cg1 is the centroid of atoms N1,C1–C5.