| Literature DB >> 21522597 |
Mei-Qin Zha1, Xing Li, Yue Bing.
Abstract
The neutral binuclear title complex, [Cd(2)(C(16)H(10)NO(2))(4)(C(10)H(8)N(2))(2)], is centrosymmetric, with the inversion center generating the central (μ-O)(2)Cd(2) bridge. The Cd(II) ion is in a strongly distorted CdN(2)O(5) penta-gonal-bipyramidal geometry, defined by two N atoms from one 2,2'-bipyridine ligand and five O atoms from three 2-phenyl-quinoline-4-carboxyl-ate ligands, one monodentate, two bidentate. Weak inter-molecular π-π inter-actions [centroid-centroid distance = 3.712 (3) Å] help to establish the packing of the structure.Entities:
Year: 2010 PMID: 21522597 PMCID: PMC3050170 DOI: 10.1107/S1600536810049640
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cd2(C16H10NO2)4(C10H8N2)2] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 14431 reflections | |
| θ = 1.6–27.5° | |
| µ = 0.70 mm−1 | |
| α = 91.513 (3)° | |
| β = 97.130 (3)° | Block, colourless |
| γ = 95.185 (3)° | 0.32 × 0.21 × 0.16 mm |
| Bruker SMART APEX CCD area-detector diffractometer | 7492 independent reflections |
| Radiation source: fine-focus sealed tube | 5547 reflections with |
| graphite | |
| φ and ω scans | θmax = 27.5°, θmin = 1.6° |
| Absorption correction: multi-scan ( | |
| 14431 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 | |
| 7492 reflections | (Δ/σ)max < 0.001 |
| 460 parameters | Δρmax = 1.07 e Å−3 |
| 0 restraints | Δρmin = −1.36 e Å−3 |
| 0 constraints |
| Cd1 | 0.33778 (3) | 0.47866 (2) | 0.05568 (2) | 0.03810 (11) | |
| O1 | 0.3538 (3) | 0.6793 (2) | 0.0437 (3) | 0.0587 (8) | |
| O2 | 0.5332 (3) | 0.59229 (19) | 0.0598 (2) | 0.0443 (7) | |
| O3 | 0.3779 (3) | 0.5140 (3) | 0.2334 (2) | 0.0564 (8) | |
| O4 | 0.4866 (3) | 0.3875 (2) | 0.1788 (2) | 0.0549 (8) | |
| N1 | 0.7437 (4) | 0.9514 (3) | 0.0256 (3) | 0.0504 (9) | |
| N2 | 0.7618 (4) | 0.5106 (3) | 0.5176 (3) | 0.0562 (10) | |
| N3 | 0.1677 (3) | 0.3442 (2) | 0.0602 (3) | 0.0403 (7) | |
| N4 | 0.1683 (3) | 0.4902 (2) | −0.0807 (3) | 0.0395 (7) | |
| C1 | 0.4769 (4) | 0.6758 (3) | 0.0501 (3) | 0.0400 (9) | |
| C2 | 0.5700 (4) | 0.7730 (3) | 0.0457 (3) | 0.0375 (8) | |
| C3 | 0.5460 (4) | 0.8372 (3) | −0.0337 (3) | 0.0414 (9) | |
| H3 | 0.4697 | 0.8230 | −0.0818 | 0.050* | |
| C4 | 0.6858 (4) | 0.7968 (3) | 0.1193 (3) | 0.0405 (9) | |
| C5 | 0.7220 (4) | 0.7366 (3) | 0.2047 (3) | 0.0475 (10) | |
| H5 | 0.6710 | 0.6748 | 0.2129 | 0.057* | |
| C6 | 0.8309 (5) | 0.7682 (4) | 0.2750 (4) | 0.0632 (13) | |
| H6 | 0.8529 | 0.7284 | 0.3312 | 0.076* | |
| C7 | 0.9095 (6) | 0.8602 (5) | 0.2629 (4) | 0.0792 (17) | |
| H7 | 0.9831 | 0.8814 | 0.3116 | 0.095* | |
| C8 | 0.8799 (5) | 0.9186 (4) | 0.1813 (4) | 0.0712 (15) | |
| H8 | 0.9342 | 0.9790 | 0.1741 | 0.085* | |
| C9 | 0.7676 (4) | 0.8892 (3) | 0.1063 (3) | 0.0481 (10) | |
| C10 | 0.6371 (4) | 0.9258 (3) | −0.0429 (3) | 0.0443 (10) | |
| C11 | 0.6183 (5) | 0.9933 (3) | −0.1331 (3) | 0.0480 (10) | |
| C12 | 0.4954 (5) | 0.9937 (4) | −0.1943 (4) | 0.0604 (12) | |
| H12 | 0.4216 | 0.9498 | −0.1811 | 0.073* | |
| C13 | 0.4821 (6) | 1.0595 (4) | −0.2756 (4) | 0.0757 (16) | |
| H13 | 0.3986 | 1.0598 | −0.3155 | 0.091* | |
| C14 | 0.7255 (6) | 1.0582 (4) | −0.1567 (4) | 0.0626 (13) | |
| H14 | 0.8097 | 1.0582 | −0.1177 | 0.075* | |
| C15 | 0.7097 (7) | 1.1232 (4) | −0.2373 (4) | 0.0804 (17) | |
| H15 | 0.7829 | 1.1677 | −0.2508 | 0.097* | |
| C16 | 0.5885 (7) | 1.1232 (4) | −0.2977 (5) | 0.0800 (17) | |
| H16 | 0.5791 | 1.1661 | −0.3530 | 0.096* | |
| C17 | 0.4680 (4) | 0.4531 (4) | 0.2459 (3) | 0.0482 (10) | |
| C18 | 0.5663 (4) | 0.4659 (3) | 0.3445 (3) | 0.0456 (10) | |
| C19 | 0.5886 (4) | 0.5610 (3) | 0.3926 (3) | 0.0474 (10) | |
| H19 | 0.5359 | 0.6129 | 0.3694 | 0.057* | |
| C20 | 0.6428 (5) | 0.3864 (4) | 0.3859 (3) | 0.0500 (10) | |
| C21 | 0.6304 (5) | 0.2832 (4) | 0.3474 (4) | 0.0633 (13) | |
| H21 | 0.5714 | 0.2641 | 0.2882 | 0.076* | |
| C22 | 0.7046 (6) | 0.2104 (4) | 0.3963 (5) | 0.0755 (16) | |
| H22 | 0.6952 | 0.1429 | 0.3701 | 0.091* | |
| C23 | 0.7935 (7) | 0.2381 (5) | 0.4849 (5) | 0.0823 (17) | |
| H23 | 0.8425 | 0.1885 | 0.5178 | 0.099* | |
| C24 | 0.8095 (6) | 0.3356 (5) | 0.5233 (4) | 0.0782 (16) | |
| H24 | 0.8692 | 0.3522 | 0.5826 | 0.094* | |
| C25 | 0.7377 (5) | 0.4129 (4) | 0.4756 (3) | 0.0548 (11) | |
| C26 | 0.6904 (5) | 0.5819 (4) | 0.4768 (3) | 0.0502 (10) | |
| C27 | 0.7241 (5) | 0.6903 (4) | 0.5209 (3) | 0.0539 (11) | |
| C28 | 0.8561 (6) | 0.7209 (5) | 0.5635 (4) | 0.0736 (15) | |
| H28 | 0.9209 | 0.6739 | 0.5683 | 0.088* | |
| C29 | 0.8908 (7) | 0.8215 (5) | 0.5986 (5) | 0.0889 (19) | |
| H29 | 0.9800 | 0.8427 | 0.6248 | 0.107* | |
| C30 | 0.6305 (6) | 0.7601 (4) | 0.5161 (4) | 0.0666 (14) | |
| H30 | 0.5425 | 0.7402 | 0.4861 | 0.080* | |
| C31 | 0.6634 (7) | 0.8600 (5) | 0.5549 (5) | 0.0878 (18) | |
| H31 | 0.5972 | 0.9058 | 0.5535 | 0.105* | |
| C32 | 0.7940 (8) | 0.8911 (5) | 0.5953 (5) | 0.097 (2) | |
| H32 | 0.8176 | 0.9586 | 0.6202 | 0.116* | |
| C33 | 0.1753 (4) | 0.2716 (3) | 0.1293 (3) | 0.0498 (10) | |
| H33 | 0.2515 | 0.2747 | 0.1781 | 0.060* | |
| C34 | 0.0750 (5) | 0.1920 (3) | 0.1319 (4) | 0.0598 (13) | |
| H34 | 0.0844 | 0.1414 | 0.1801 | 0.072* | |
| C35 | −0.0381 (5) | 0.1893 (3) | 0.0622 (4) | 0.0626 (13) | |
| H35 | −0.1080 | 0.1373 | 0.0629 | 0.075* | |
| C36 | −0.0483 (4) | 0.2644 (3) | −0.0096 (4) | 0.0526 (11) | |
| H36 | −0.1253 | 0.2639 | −0.0572 | 0.063* | |
| C37 | 0.0583 (4) | 0.3412 (3) | −0.0099 (3) | 0.0377 (8) | |
| C38 | 0.0570 (4) | 0.4227 (3) | −0.0875 (3) | 0.0359 (8) | |
| C39 | −0.0508 (4) | 0.4296 (3) | −0.1635 (3) | 0.0485 (10) | |
| H39 | −0.1288 | 0.3846 | −0.1659 | 0.058* | |
| C40 | −0.0408 (5) | 0.5043 (4) | −0.2358 (3) | 0.0555 (11) | |
| H40 | −0.1122 | 0.5098 | −0.2872 | 0.067* | |
| C41 | 0.0742 (5) | 0.5695 (4) | −0.2312 (3) | 0.0551 (11) | |
| H41 | 0.0834 | 0.6188 | −0.2803 | 0.066* | |
| C42 | 0.1766 (4) | 0.5613 (3) | −0.1527 (3) | 0.0495 (10) | |
| H42 | 0.2546 | 0.6066 | −0.1492 | 0.059* |
| Cd1 | 0.03085 (17) | 0.03765 (16) | 0.04228 (18) | −0.00643 (11) | −0.00203 (11) | 0.00059 (11) |
| O1 | 0.0335 (17) | 0.0550 (18) | 0.084 (2) | −0.0065 (13) | −0.0006 (16) | 0.0042 (16) |
| O2 | 0.0529 (18) | 0.0303 (13) | 0.0496 (16) | −0.0019 (12) | 0.0107 (14) | −0.0036 (11) |
| O3 | 0.0427 (18) | 0.078 (2) | 0.0460 (17) | 0.0069 (16) | −0.0041 (14) | 0.0008 (15) |
| O4 | 0.058 (2) | 0.0571 (18) | 0.0453 (17) | −0.0036 (15) | −0.0040 (15) | −0.0029 (15) |
| N1 | 0.052 (2) | 0.0368 (17) | 0.059 (2) | −0.0091 (15) | 0.0023 (18) | 0.0033 (16) |
| N2 | 0.051 (2) | 0.072 (3) | 0.043 (2) | 0.010 (2) | −0.0053 (18) | 0.0021 (19) |
| N3 | 0.0346 (18) | 0.0385 (16) | 0.0455 (19) | −0.0024 (13) | 0.0012 (15) | −0.0019 (14) |
| N4 | 0.0334 (18) | 0.0400 (16) | 0.0432 (18) | 0.0003 (13) | 0.0003 (14) | −0.0008 (14) |
| C1 | 0.041 (2) | 0.0329 (18) | 0.043 (2) | −0.0083 (16) | 0.0033 (18) | −0.0039 (16) |
| C2 | 0.035 (2) | 0.0288 (17) | 0.048 (2) | −0.0015 (15) | 0.0059 (17) | −0.0053 (16) |
| C3 | 0.037 (2) | 0.0348 (18) | 0.050 (2) | 0.0010 (16) | 0.0003 (18) | −0.0062 (17) |
| C4 | 0.038 (2) | 0.0336 (18) | 0.048 (2) | −0.0030 (16) | 0.0056 (18) | −0.0026 (16) |
| C5 | 0.050 (3) | 0.043 (2) | 0.047 (2) | −0.0047 (18) | 0.003 (2) | 0.0003 (18) |
| C6 | 0.065 (3) | 0.063 (3) | 0.057 (3) | −0.002 (2) | −0.009 (2) | 0.011 (2) |
| C7 | 0.063 (4) | 0.087 (4) | 0.074 (4) | −0.024 (3) | −0.027 (3) | 0.010 (3) |
| C8 | 0.061 (3) | 0.065 (3) | 0.076 (4) | −0.026 (3) | −0.014 (3) | 0.009 (3) |
| C9 | 0.043 (2) | 0.041 (2) | 0.056 (3) | −0.0076 (18) | −0.003 (2) | 0.0008 (19) |
| C10 | 0.047 (3) | 0.0312 (18) | 0.053 (2) | 0.0023 (17) | 0.004 (2) | −0.0011 (17) |
| C11 | 0.057 (3) | 0.0338 (19) | 0.053 (3) | 0.0030 (18) | 0.009 (2) | −0.0008 (18) |
| C12 | 0.065 (3) | 0.050 (2) | 0.067 (3) | 0.010 (2) | 0.005 (3) | 0.007 (2) |
| C13 | 0.088 (4) | 0.070 (3) | 0.072 (4) | 0.030 (3) | 0.000 (3) | 0.015 (3) |
| C14 | 0.069 (3) | 0.055 (3) | 0.061 (3) | −0.006 (2) | 0.005 (3) | 0.005 (2) |
| C15 | 0.108 (5) | 0.062 (3) | 0.071 (4) | −0.012 (3) | 0.023 (4) | 0.016 (3) |
| C16 | 0.110 (5) | 0.062 (3) | 0.072 (4) | 0.013 (3) | 0.018 (4) | 0.024 (3) |
| C17 | 0.041 (2) | 0.058 (3) | 0.043 (2) | −0.010 (2) | 0.0041 (19) | 0.009 (2) |
| C18 | 0.039 (2) | 0.059 (3) | 0.037 (2) | −0.0002 (19) | 0.0030 (18) | 0.0051 (19) |
| C19 | 0.040 (2) | 0.061 (3) | 0.041 (2) | 0.0045 (19) | 0.0026 (19) | 0.005 (2) |
| C20 | 0.045 (3) | 0.060 (3) | 0.044 (2) | 0.001 (2) | 0.007 (2) | 0.005 (2) |
| C21 | 0.065 (3) | 0.067 (3) | 0.054 (3) | 0.003 (3) | −0.005 (2) | −0.003 (2) |
| C22 | 0.087 (4) | 0.062 (3) | 0.076 (4) | 0.016 (3) | 0.000 (3) | 0.002 (3) |
| C23 | 0.092 (5) | 0.079 (4) | 0.075 (4) | 0.030 (3) | −0.009 (3) | 0.008 (3) |
| C24 | 0.086 (4) | 0.082 (4) | 0.062 (3) | 0.022 (3) | −0.017 (3) | 0.001 (3) |
| C25 | 0.057 (3) | 0.066 (3) | 0.042 (2) | 0.013 (2) | 0.001 (2) | 0.007 (2) |
| C26 | 0.045 (3) | 0.066 (3) | 0.038 (2) | 0.002 (2) | 0.0037 (19) | −0.003 (2) |
| C27 | 0.057 (3) | 0.060 (3) | 0.043 (2) | 0.004 (2) | 0.001 (2) | −0.001 (2) |
| C28 | 0.072 (4) | 0.079 (4) | 0.063 (3) | 0.002 (3) | −0.012 (3) | −0.009 (3) |
| C29 | 0.081 (4) | 0.091 (4) | 0.085 (4) | −0.013 (4) | −0.007 (3) | −0.028 (4) |
| C30 | 0.065 (3) | 0.071 (3) | 0.063 (3) | 0.003 (3) | 0.008 (3) | −0.007 (3) |
| C31 | 0.093 (5) | 0.075 (4) | 0.095 (5) | 0.012 (3) | 0.007 (4) | −0.015 (3) |
| C32 | 0.118 (6) | 0.076 (4) | 0.090 (5) | −0.010 (4) | 0.005 (4) | −0.026 (4) |
| C33 | 0.044 (3) | 0.049 (2) | 0.054 (3) | −0.0040 (19) | −0.001 (2) | 0.004 (2) |
| C34 | 0.062 (3) | 0.044 (2) | 0.070 (3) | −0.010 (2) | 0.004 (3) | 0.014 (2) |
| C35 | 0.053 (3) | 0.044 (2) | 0.085 (4) | −0.017 (2) | 0.002 (3) | 0.009 (2) |
| C36 | 0.036 (2) | 0.043 (2) | 0.073 (3) | −0.0075 (18) | −0.007 (2) | −0.004 (2) |
| C37 | 0.031 (2) | 0.0335 (18) | 0.047 (2) | 0.0013 (15) | 0.0036 (17) | −0.0087 (16) |
| C38 | 0.0278 (19) | 0.0386 (19) | 0.040 (2) | 0.0016 (15) | 0.0031 (16) | −0.0119 (16) |
| C39 | 0.034 (2) | 0.055 (2) | 0.053 (3) | 0.0004 (18) | −0.0052 (19) | −0.008 (2) |
| C40 | 0.052 (3) | 0.069 (3) | 0.043 (2) | 0.013 (2) | −0.005 (2) | −0.006 (2) |
| C41 | 0.055 (3) | 0.066 (3) | 0.045 (3) | 0.011 (2) | 0.006 (2) | 0.010 (2) |
| C42 | 0.041 (2) | 0.054 (2) | 0.051 (3) | −0.0015 (19) | 0.000 (2) | 0.010 (2) |
| Cd1—N4 | 2.328 (3) | C15—H15 | 0.9300 |
| Cd1—O2i | 2.336 (3) | C16—H16 | 0.9300 |
| Cd1—N3 | 2.338 (3) | C17—C18 | 1.524 (6) |
| Cd1—O2 | 2.338 (3) | C18—C19 | 1.365 (6) |
| Cd1—O3 | 2.349 (3) | C18—C20 | 1.424 (6) |
| Cd1—O4 | 2.465 (3) | C19—C26 | 1.411 (6) |
| Cd1—O1 | 2.618 (3) | C19—H19 | 0.9300 |
| Cd1—C17 | 2.717 (4) | C20—C21 | 1.416 (7) |
| O1—C1 | 1.229 (5) | C20—C25 | 1.433 (6) |
| O2—C1 | 1.274 (5) | C21—C22 | 1.381 (7) |
| O2—Cd1i | 2.336 (3) | C21—H21 | 0.9300 |
| O3—C17 | 1.252 (5) | C22—C23 | 1.394 (8) |
| O4—C17 | 1.255 (5) | C22—H22 | 0.9300 |
| N1—C10 | 1.319 (5) | C23—C24 | 1.345 (8) |
| N1—C9 | 1.365 (5) | C23—H23 | 0.9300 |
| N2—C26 | 1.309 (6) | C24—C25 | 1.407 (7) |
| N2—C25 | 1.366 (6) | C24—H24 | 0.9300 |
| N3—C33 | 1.331 (5) | C26—C27 | 1.507 (6) |
| N3—C37 | 1.338 (5) | C27—C30 | 1.361 (7) |
| N4—C38 | 1.348 (5) | C27—C28 | 1.387 (7) |
| N4—C42 | 1.348 (5) | C28—C29 | 1.379 (8) |
| C1—C2 | 1.510 (5) | C28—H28 | 0.9300 |
| C2—C3 | 1.367 (5) | C29—C32 | 1.383 (9) |
| C2—C4 | 1.420 (5) | C29—H29 | 0.9300 |
| C3—C10 | 1.423 (5) | C30—C31 | 1.383 (8) |
| C3—H3 | 0.9300 | C30—H30 | 0.9300 |
| C4—C5 | 1.416 (6) | C31—C32 | 1.369 (9) |
| C4—C9 | 1.421 (5) | C31—H31 | 0.9300 |
| C5—C6 | 1.365 (6) | C32—H32 | 0.9300 |
| C5—H5 | 0.9300 | C33—C34 | 1.382 (6) |
| C6—C7 | 1.398 (7) | C33—H33 | 0.9300 |
| C6—H6 | 0.9300 | C34—C35 | 1.363 (7) |
| C7—C8 | 1.352 (7) | C34—H34 | 0.9300 |
| C7—H7 | 0.9300 | C35—C36 | 1.380 (6) |
| C8—C9 | 1.417 (6) | C35—H35 | 0.9300 |
| C8—H8 | 0.9300 | C36—C37 | 1.395 (5) |
| C10—C11 | 1.500 (6) | C36—H36 | 0.9300 |
| C11—C14 | 1.377 (6) | C37—C38 | 1.493 (5) |
| C11—C12 | 1.384 (7) | C38—C39 | 1.387 (6) |
| C12—C13 | 1.390 (7) | C39—C40 | 1.386 (6) |
| C12—H12 | 0.9300 | C39—H39 | 0.9300 |
| C13—C16 | 1.356 (8) | C40—C41 | 1.362 (7) |
| C13—H13 | 0.9300 | C40—H40 | 0.9300 |
| C14—C15 | 1.378 (7) | C41—C42 | 1.374 (6) |
| C14—H14 | 0.9300 | C41—H41 | 0.9300 |
| C15—C16 | 1.364 (9) | C42—H42 | 0.9300 |
| N4—Cd1—O2i | 88.20 (11) | C14—C15—H15 | 119.5 |
| N4—Cd1—N3 | 70.50 (11) | C13—C16—C15 | 118.7 (5) |
| O2i—Cd1—N3 | 100.51 (10) | C13—C16—H16 | 120.6 |
| N4—Cd1—O2 | 116.98 (10) | C15—C16—H16 | 120.6 |
| O2i—Cd1—O2 | 74.31 (10) | O3—C17—O4 | 123.4 (4) |
| N3—Cd1—O2 | 170.24 (10) | O3—C17—C18 | 117.6 (4) |
| N4—Cd1—O3 | 139.30 (12) | O4—C17—C18 | 118.8 (4) |
| O2i—Cd1—O3 | 132.48 (11) | O3—C17—Cd1 | 59.7 (2) |
| N3—Cd1—O3 | 96.47 (11) | O4—C17—Cd1 | 65.0 (2) |
| O2—Cd1—O3 | 81.66 (10) | C18—C17—Cd1 | 163.5 (3) |
| N4—Cd1—O4 | 155.01 (11) | C19—C18—C20 | 118.0 (4) |
| O2i—Cd1—O4 | 81.67 (11) | C19—C18—C17 | 117.9 (4) |
| N3—Cd1—O4 | 88.89 (11) | C20—C18—C17 | 123.9 (4) |
| O2—Cd1—O4 | 82.22 (10) | C18—C19—C26 | 121.1 (4) |
| O3—Cd1—O4 | 54.54 (11) | C18—C19—H19 | 119.4 |
| N4—Cd1—O1 | 81.20 (11) | C26—C19—H19 | 119.4 |
| O2i—Cd1—O1 | 110.20 (10) | C21—C20—C18 | 125.4 (4) |
| N3—Cd1—O1 | 137.22 (11) | C21—C20—C25 | 117.5 (4) |
| O2—Cd1—O1 | 52.33 (9) | C18—C20—C25 | 117.0 (4) |
| O3—Cd1—O1 | 84.39 (11) | C22—C21—C20 | 121.0 (5) |
| O4—Cd1—O1 | 123.74 (10) | C22—C21—H21 | 119.5 |
| N4—Cd1—C17 | 162.27 (12) | C20—C21—H21 | 119.5 |
| O2i—Cd1—C17 | 106.23 (13) | C21—C22—C23 | 120.1 (5) |
| N3—Cd1—C17 | 96.26 (12) | C21—C22—H22 | 120.0 |
| O2—Cd1—C17 | 77.65 (11) | C23—C22—H22 | 120.0 |
| O3—Cd1—C17 | 27.41 (12) | C24—C23—C22 | 120.8 (5) |
| O4—Cd1—C17 | 27.49 (12) | C24—C23—H23 | 119.6 |
| O1—Cd1—C17 | 102.66 (12) | C22—C23—H23 | 119.6 |
| C1—O1—Cd1 | 86.3 (2) | C23—C24—C25 | 121.3 (5) |
| C1—O2—Cd1i | 126.3 (2) | C23—C24—H24 | 119.3 |
| C1—O2—Cd1 | 98.3 (2) | C25—C24—H24 | 119.3 |
| Cd1i—O2—Cd1 | 105.69 (10) | N2—C25—C24 | 118.0 (4) |
| C17—O3—Cd1 | 92.9 (3) | N2—C25—C20 | 122.8 (4) |
| C17—O4—Cd1 | 87.5 (3) | C24—C25—C20 | 119.2 (5) |
| C10—N1—C9 | 118.3 (3) | N2—C26—C19 | 122.5 (4) |
| C26—N2—C25 | 118.3 (4) | N2—C26—C27 | 117.3 (4) |
| C33—N3—C37 | 119.2 (3) | C19—C26—C27 | 120.2 (4) |
| C33—N3—Cd1 | 122.8 (3) | C30—C27—C28 | 119.1 (5) |
| C37—N3—Cd1 | 118.0 (2) | C30—C27—C26 | 122.0 (5) |
| C38—N4—C42 | 118.8 (3) | C28—C27—C26 | 118.9 (5) |
| C38—N4—Cd1 | 118.2 (2) | C29—C28—C27 | 119.7 (6) |
| C42—N4—Cd1 | 122.9 (3) | C29—C28—H28 | 120.1 |
| O1—C1—O2 | 123.1 (3) | C27—C28—H28 | 120.1 |
| O1—C1—C2 | 120.5 (4) | C28—C29—C32 | 120.6 (6) |
| O2—C1—C2 | 116.4 (4) | C28—C29—H29 | 119.7 |
| C3—C2—C4 | 119.1 (3) | C32—C29—H29 | 119.7 |
| C3—C2—C1 | 119.3 (4) | C27—C30—C31 | 121.4 (6) |
| C4—C2—C1 | 121.5 (3) | C27—C30—H30 | 119.3 |
| C2—C3—C10 | 120.3 (4) | C31—C30—H30 | 119.3 |
| C2—C3—H3 | 119.9 | C32—C31—C30 | 119.6 (6) |
| C10—C3—H3 | 119.9 | C32—C31—H31 | 120.2 |
| C5—C4—C2 | 124.6 (3) | C30—C31—H31 | 120.2 |
| C5—C4—C9 | 118.8 (4) | C31—C32—C29 | 119.4 (6) |
| C2—C4—C9 | 116.6 (4) | C31—C32—H32 | 120.3 |
| C6—C5—C4 | 120.7 (4) | C29—C32—H32 | 120.3 |
| C6—C5—H5 | 119.6 | N3—C33—C34 | 122.9 (4) |
| C4—C5—H5 | 119.6 | N3—C33—H33 | 118.6 |
| C5—C6—C7 | 120.2 (4) | C34—C33—H33 | 118.6 |
| C5—C6—H6 | 119.9 | C35—C34—C33 | 118.4 (4) |
| C7—C6—H6 | 119.9 | C35—C34—H34 | 120.8 |
| C8—C7—C6 | 120.8 (5) | C33—C34—H34 | 120.8 |
| C8—C7—H7 | 119.6 | C34—C35—C36 | 119.5 (4) |
| C6—C7—H7 | 119.6 | C34—C35—H35 | 120.3 |
| C7—C8—C9 | 121.1 (4) | C36—C35—H35 | 120.3 |
| C7—C8—H8 | 119.5 | C35—C36—C37 | 119.3 (4) |
| C9—C8—H8 | 119.5 | C35—C36—H36 | 120.4 |
| N1—C9—C8 | 118.2 (4) | C37—C36—H36 | 120.4 |
| N1—C9—C4 | 123.5 (4) | N3—C37—C36 | 120.7 (4) |
| C8—C9—C4 | 118.3 (4) | N3—C37—C38 | 116.9 (3) |
| N1—C10—C3 | 122.1 (4) | C36—C37—C38 | 122.4 (4) |
| N1—C10—C11 | 116.6 (3) | N4—C38—C39 | 120.9 (4) |
| C3—C10—C11 | 121.3 (4) | N4—C38—C37 | 116.2 (3) |
| C14—C11—C12 | 117.9 (4) | C39—C38—C37 | 122.9 (3) |
| C14—C11—C10 | 119.8 (4) | C40—C39—C38 | 119.2 (4) |
| C12—C11—C10 | 122.3 (4) | C40—C39—H39 | 120.4 |
| C11—C12—C13 | 120.2 (5) | C38—C39—H39 | 120.4 |
| C11—C12—H12 | 119.9 | C41—C40—C39 | 119.6 (4) |
| C13—C12—H12 | 119.9 | C41—C40—H40 | 120.2 |
| C16—C13—C12 | 121.2 (6) | C39—C40—H40 | 120.2 |
| C16—C13—H13 | 119.4 | C40—C41—C42 | 118.9 (4) |
| C12—C13—H13 | 119.4 | C40—C41—H41 | 120.6 |
| C11—C14—C15 | 120.9 (5) | C42—C41—H41 | 120.6 |
| C11—C14—H14 | 119.6 | N4—C42—C41 | 122.5 (4) |
| C15—C14—H14 | 119.6 | N4—C42—H42 | 118.8 |
| C16—C15—C14 | 121.1 (5) | C41—C42—H42 | 118.8 |
| C16—C15—H15 | 119.5 |
Selected geometric parameters (Å, °)
| Cd1—N4 | 2.328 (3) |
| Cd1—O2i | 2.336 (3) |
| Cd1—N3 | 2.338 (3) |
| Cd1—O2 | 2.338 (3) |
| Cd1—O3 | 2.349 (3) |
| Cd1—O4 | 2.465 (3) |
| Cd1—O1 | 2.618 (3) |
Symmetry code: (i) .