| Literature DB >> 21580898 |
Hailong Wang1, Daopeng Zhang, Laijin Tian, Li-Fang Zhang.
Abstract
In the heterodinuclear complex of the title compound, [PbZn(C(22)H(18)N(2)O(4))Cl(2)(C(2)H(6)OS)]·C(3)H(7)NO, the Zn(II) atom is coordinated in a distorted square-pyramidal geometry by two N atoms and two O atoms from the diphenolate ligand, and one Cl atom which occupies the apical position. The Pb(II) atom is coordinated in a distorted octa-hedral geometry by the four O atoms of the diphenolate ligand, one O atom from the dimethyl sulfoxide mol-ecule and one Cl atom. The dimethyl sulfoxide mol-ecule is disordered over two positions, with site occupancies of 0.576 (2) and 0.424 (2).Entities:
Year: 2008 PMID: 21580898 PMCID: PMC2959625 DOI: 10.1107/S1600536808034338
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [PbZn(C22H18N2O4)Cl2(C2H6OS)]·C3H7NO | |
| Monoclinic, | Mo |
| Hall symbol: -P2ybc | Cell parameters from 5739 reflections |
| θ = 1.7–27.5° | |
| µ = 6.52 mm−1 | |
| β = 94.771 (1)° | Block, yellow |
| 0.2 × 0.15 × 0.1 mm | |
| Bruker APEX CCD area-detector diffractometer | 6997 independent reflections |
| Radiation source: fine-focus sealed tube | 4923 reflections with |
| graphite | |
| ω scans | θmax = 27.5°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 18055 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 | |
| 6997 reflections | (Δ/σ)max = 0.001 |
| 387 parameters | Δρmax = 0.75 e Å−3 |
| 28 restraints | Δρmin = −0.61 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 |
| Occ. (<1) | |||||
| C1 | 0.9922 (4) | 0.5643 (3) | −0.2068 (8) | 0.092 (2) | |
| H1A | 1.0047 | 0.6013 | −0.1464 | 0.138* | |
| H1B | 0.9834 | 0.5848 | −0.2888 | 0.138* | |
| H1C | 1.0406 | 0.5318 | −0.2041 | 0.138* | |
| C2 | 0.8849 (3) | 0.4724 (3) | −0.2534 (5) | 0.0464 (12) | |
| C3 | 0.9128 (4) | 0.4565 (3) | −0.3684 (5) | 0.0594 (15) | |
| H3 | 0.9561 | 0.4841 | −0.4004 | 0.071* | |
| C4 | 0.8775 (4) | 0.4007 (3) | −0.4364 (5) | 0.0615 (16) | |
| H4 | 0.8966 | 0.3910 | −0.5147 | 0.074* | |
| C5 | 0.8147 (3) | 0.3591 (3) | −0.3907 (5) | 0.0535 (14) | |
| H5 | 0.7913 | 0.3212 | −0.4380 | 0.064* | |
| C6 | 0.7850 (3) | 0.3730 (2) | −0.2721 (4) | 0.0384 (11) | |
| C7 | 0.8183 (3) | 0.4316 (2) | −0.2022 (4) | 0.0396 (11) | |
| C8 | 0.7195 (3) | 0.3250 (2) | −0.2308 (4) | 0.0387 (11) | |
| H8 | 0.6966 | 0.2912 | −0.2876 | 0.046* | |
| C9 | 0.6238 (3) | 0.2772 (2) | −0.0917 (4) | 0.0340 (10) | |
| C10 | 0.6124 (3) | 0.2101 (2) | −0.1400 (4) | 0.0458 (12) | |
| H10 | 0.6504 | 0.1929 | −0.1964 | 0.055* | |
| C11 | 0.5449 (3) | 0.1680 (3) | −0.1049 (5) | 0.0503 (13) | |
| H11 | 0.5370 | 0.1227 | −0.1386 | 0.060* | |
| C12 | 0.4890 (3) | 0.1927 (3) | −0.0202 (5) | 0.0497 (13) | |
| H12 | 0.4429 | 0.1643 | 0.0018 | 0.060* | |
| C13 | 0.5009 (3) | 0.2587 (2) | 0.0317 (4) | 0.0440 (12) | |
| H13 | 0.4636 | 0.2747 | 0.0898 | 0.053* | |
| C14 | 0.5687 (3) | 0.3017 (2) | −0.0023 (4) | 0.0338 (10) | |
| C15 | 0.5294 (3) | 0.4084 (2) | 0.0968 (4) | 0.0329 (10) | |
| H15 | 0.4743 | 0.3883 | 0.1023 | 0.040* | |
| C16 | 0.5433 (3) | 0.4791 (2) | 0.1456 (4) | 0.0333 (10) | |
| C17 | 0.4754 (3) | 0.5081 (3) | 0.2123 (4) | 0.0414 (12) | |
| H17 | 0.4262 | 0.4807 | 0.2241 | 0.050* | |
| C18 | 0.4806 (3) | 0.5746 (3) | 0.2589 (5) | 0.0493 (13) | |
| H18 | 0.4371 | 0.5916 | 0.3067 | 0.059* | |
| C19 | 0.5518 (3) | 0.6180 (2) | 0.2349 (4) | 0.0429 (12) | |
| H19 | 0.5542 | 0.6645 | 0.2638 | 0.051* | |
| C20 | 0.6174 (3) | 0.5923 (2) | 0.1696 (4) | 0.0377 (11) | |
| C25 | 0.7952 (4) | 0.5309 (4) | 0.3414 (6) | 0.0688 (17) | |
| H25 | 0.7753 | 0.4877 | 0.3083 | 0.083* | |
| C23 | 0.7891 (5) | 0.6193 (4) | 0.4986 (6) | 0.105 (3) | |
| H23A | 0.7556 | 0.6292 | 0.5683 | 0.158* | |
| H23B | 0.7822 | 0.6575 | 0.4395 | 0.158* | |
| H23C | 0.8500 | 0.6145 | 0.5274 | 0.158* | |
| C24 | 0.6895 (4) | 0.5155 (4) | 0.4933 (6) | 0.092 (2) | |
| H24A | 0.6710 | 0.5410 | 0.5639 | 0.138* | |
| H24B | 0.7109 | 0.4696 | 0.5197 | 0.138* | |
| H24C | 0.6406 | 0.5101 | 0.4318 | 0.138* | |
| C21 | 0.6168 (3) | 0.5213 (2) | 0.1249 (4) | 0.0343 (10) | |
| C22 | 0.6974 (4) | 0.7029 (3) | 0.1830 (6) | 0.0630 (16) | |
| H22A | 0.7504 | 0.7230 | 0.1565 | 0.095* | |
| H22C | 0.6992 | 0.7041 | 0.2726 | 0.095* | |
| H22B | 0.6479 | 0.7298 | 0.1483 | 0.095* | |
| N1 | 0.6903 (2) | 0.32535 (18) | −0.1215 (3) | 0.0351 (9) | |
| N2 | 0.5875 (2) | 0.37078 (18) | 0.0461 (3) | 0.0337 (8) | |
| N3 | 0.7585 (3) | 0.5545 (3) | 0.4398 (5) | 0.0637 (13) | |
| O3 | 0.6844 (2) | 0.49968 (15) | 0.0660 (3) | 0.0412 (8) | |
| O2 | 0.7936 (2) | 0.45072 (16) | −0.0930 (3) | 0.0452 (8) | |
| O1 | 0.9148 (2) | 0.52743 (19) | −0.1786 (4) | 0.0606 (10) | |
| O6 | 0.8536 (3) | 0.5608 (3) | 0.2891 (5) | 0.0903 (15) | |
| O4 | 0.6892 (2) | 0.63108 (17) | 0.1411 (3) | 0.0521 (9) | |
| Zn1 | 0.71596 (3) | 0.39911 (3) | 0.01970 (5) | 0.03524 (13) | |
| Pb1 | 0.805850 (13) | 0.569995 (10) | 0.003745 (18) | 0.04440 (7) | |
| Cl1 | 0.70822 (10) | 0.63063 (8) | −0.17678 (14) | 0.0672 (4) | |
| Cl2 | 0.80237 (8) | 0.34936 (7) | 0.17826 (12) | 0.0528 (3) | |
| C27 | 0.9574 (13) | 0.7236 (9) | 0.2609 (7) | 0.098 (3) | 0.576 (2) |
| H27A | 0.9198 | 0.7548 | 0.3027 | 0.147* | 0.576 (2) |
| H27B | 1.0163 | 0.7271 | 0.2992 | 0.147* | 0.576 (2) |
| H27C | 0.9371 | 0.6756 | 0.2672 | 0.147* | 0.576 (2) |
| C26 | 1.0639 (6) | 0.7110 (7) | 0.087 (2) | 0.074 (3) | 0.576 (2) |
| H26A | 1.0806 | 0.7151 | 0.0031 | 0.111* | 0.576 (2) |
| H26B | 1.0632 | 0.6618 | 0.1104 | 0.111* | 0.576 (2) |
| H26C | 1.1055 | 0.7360 | 0.1429 | 0.111* | 0.576 (2) |
| S1 | 0.95576 (17) | 0.74864 (13) | 0.0961 (2) | 0.0599 (5) | 0.576 (2) |
| O5 | 0.8885 (11) | 0.6987 (5) | 0.0345 (17) | 0.073 (5) | 0.576 (2) |
| C27' | 0.9400 (18) | 0.7406 (10) | 0.2440 (14) | 0.098 (3) | 0.424 (2) |
| H27D | 0.9102 | 0.7137 | 0.3036 | 0.147* | 0.424 (2) |
| H27E | 0.8995 | 0.7731 | 0.2012 | 0.147* | 0.424 (2) |
| H27F | 0.9874 | 0.7667 | 0.2867 | 0.147* | 0.424 (2) |
| C26' | 1.0592 (10) | 0.7461 (8) | 0.080 (3) | 0.074 (3) | 0.424 (2) |
| H26D | 1.0844 | 0.7296 | 0.0062 | 0.111* | 0.424 (2) |
| H26E | 1.1050 | 0.7539 | 0.1452 | 0.111* | 0.424 (2) |
| H26F | 1.0282 | 0.7897 | 0.0618 | 0.111* | 0.424 (2) |
| S1' | 0.9837 (2) | 0.68004 (18) | 0.1302 (3) | 0.0599 (5) | 0.424 (2) |
| O5' | 0.9125 (17) | 0.6873 (8) | 0.027 (2) | 0.073 (5) | 0.424 (2) |
| C1 | 0.073 (5) | 0.080 (5) | 0.129 (7) | −0.032 (4) | 0.042 (4) | −0.012 (4) |
| C2 | 0.045 (3) | 0.039 (3) | 0.057 (3) | 0.002 (2) | 0.016 (3) | 0.007 (3) |
| C3 | 0.063 (4) | 0.057 (3) | 0.064 (4) | 0.002 (3) | 0.036 (3) | 0.008 (3) |
| C4 | 0.078 (4) | 0.063 (4) | 0.049 (3) | −0.003 (3) | 0.037 (3) | −0.001 (3) |
| C5 | 0.061 (4) | 0.057 (3) | 0.044 (3) | 0.004 (3) | 0.019 (3) | −0.004 (3) |
| C6 | 0.045 (3) | 0.036 (3) | 0.035 (3) | 0.005 (2) | 0.008 (2) | 0.002 (2) |
| C7 | 0.040 (3) | 0.041 (3) | 0.039 (3) | 0.010 (2) | 0.010 (2) | 0.007 (2) |
| C8 | 0.042 (3) | 0.035 (3) | 0.039 (3) | 0.006 (2) | 0.004 (2) | −0.003 (2) |
| C9 | 0.040 (3) | 0.029 (2) | 0.033 (3) | −0.005 (2) | 0.002 (2) | −0.0033 (19) |
| C10 | 0.065 (3) | 0.035 (3) | 0.039 (3) | −0.004 (2) | 0.010 (2) | −0.005 (2) |
| C11 | 0.077 (4) | 0.029 (3) | 0.045 (3) | −0.011 (3) | 0.004 (3) | −0.008 (2) |
| C12 | 0.057 (3) | 0.047 (3) | 0.046 (3) | −0.019 (3) | 0.008 (3) | −0.004 (2) |
| C13 | 0.052 (3) | 0.041 (3) | 0.040 (3) | −0.009 (2) | 0.010 (2) | 0.001 (2) |
| C14 | 0.038 (3) | 0.033 (2) | 0.031 (2) | −0.006 (2) | 0.004 (2) | 0.0015 (19) |
| C15 | 0.033 (3) | 0.035 (2) | 0.031 (2) | −0.0024 (19) | 0.0039 (19) | 0.0039 (19) |
| C16 | 0.040 (3) | 0.030 (2) | 0.030 (2) | 0.005 (2) | 0.003 (2) | −0.0005 (19) |
| C17 | 0.043 (3) | 0.045 (3) | 0.036 (3) | 0.007 (2) | 0.004 (2) | 0.001 (2) |
| C18 | 0.049 (3) | 0.050 (3) | 0.048 (3) | 0.015 (3) | 0.004 (2) | −0.010 (3) |
| C19 | 0.057 (3) | 0.033 (3) | 0.038 (3) | 0.011 (2) | 0.001 (2) | −0.004 (2) |
| C20 | 0.048 (3) | 0.030 (2) | 0.034 (3) | 0.001 (2) | −0.001 (2) | 0.000 (2) |
| C25 | 0.079 (5) | 0.074 (4) | 0.052 (4) | 0.005 (4) | −0.002 (3) | −0.002 (3) |
| C23 | 0.150 (7) | 0.088 (6) | 0.076 (5) | −0.002 (5) | 0.007 (5) | −0.013 (4) |
| C24 | 0.075 (5) | 0.100 (6) | 0.103 (6) | 0.013 (4) | 0.018 (4) | 0.044 (5) |
| C21 | 0.045 (3) | 0.032 (3) | 0.026 (2) | 0.004 (2) | 0.004 (2) | 0.0034 (19) |
| C22 | 0.073 (4) | 0.033 (3) | 0.083 (4) | −0.004 (3) | 0.004 (3) | −0.012 (3) |
| N1 | 0.039 (2) | 0.031 (2) | 0.036 (2) | 0.0011 (17) | 0.0061 (17) | −0.0043 (17) |
| N2 | 0.042 (2) | 0.029 (2) | 0.031 (2) | −0.0039 (17) | 0.0049 (17) | −0.0003 (16) |
| N3 | 0.074 (3) | 0.067 (3) | 0.050 (3) | 0.005 (3) | 0.003 (3) | 0.007 (3) |
| O3 | 0.045 (2) | 0.0313 (17) | 0.049 (2) | −0.0054 (14) | 0.0186 (15) | −0.0070 (15) |
| O2 | 0.057 (2) | 0.0389 (19) | 0.043 (2) | −0.0104 (15) | 0.0244 (16) | −0.0070 (15) |
| O1 | 0.052 (2) | 0.056 (2) | 0.077 (3) | −0.0158 (19) | 0.0308 (19) | −0.002 (2) |
| O6 | 0.084 (3) | 0.107 (4) | 0.084 (3) | 0.009 (3) | 0.027 (3) | 0.005 (3) |
| O4 | 0.066 (2) | 0.0349 (19) | 0.057 (2) | −0.0089 (17) | 0.0159 (18) | −0.0100 (17) |
| Zn1 | 0.0403 (3) | 0.0300 (3) | 0.0366 (3) | −0.0041 (2) | 0.0101 (2) | −0.0017 (2) |
| Pb1 | 0.04989 (13) | 0.04072 (11) | 0.04396 (12) | −0.01222 (9) | 0.01203 (8) | −0.00356 (9) |
| Cl1 | 0.0783 (10) | 0.0622 (9) | 0.0613 (9) | −0.0068 (8) | 0.0069 (7) | 0.0132 (7) |
| Cl2 | 0.0503 (8) | 0.0548 (8) | 0.0523 (8) | −0.0035 (6) | −0.0015 (6) | 0.0091 (6) |
| C27 | 0.103 (4) | 0.106 (4) | 0.083 (4) | −0.004 (3) | 0.006 (3) | −0.001 (3) |
| C26 | 0.058 (5) | 0.074 (11) | 0.085 (6) | 0.017 (7) | −0.017 (4) | 0.003 (11) |
| S1 | 0.0670 (14) | 0.0486 (11) | 0.0625 (13) | −0.0105 (10) | −0.0049 (10) | 0.0059 (10) |
| O5 | 0.057 (10) | 0.099 (5) | 0.063 (3) | −0.039 (6) | 0.007 (6) | −0.021 (4) |
| C27' | 0.103 (4) | 0.106 (4) | 0.083 (4) | −0.004 (3) | 0.006 (3) | −0.001 (3) |
| C26' | 0.058 (5) | 0.074 (11) | 0.085 (6) | 0.017 (7) | −0.017 (4) | 0.003 (11) |
| S1' | 0.0670 (14) | 0.0486 (11) | 0.0625 (13) | −0.0105 (10) | −0.0049 (10) | 0.0059 (10) |
| O5' | 0.057 (10) | 0.099 (5) | 0.063 (3) | −0.039 (6) | 0.007 (6) | −0.021 (4) |
| C1—O1 | 1.427 (6) | C25—H25 | 0.9300 |
| C1—H1A | 0.9600 | C23—N3 | 1.436 (8) |
| C1—H1B | 0.9600 | C23—H23A | 0.9600 |
| C1—H1C | 0.9600 | C23—H23B | 0.9600 |
| C2—O1 | 1.367 (6) | C23—H23C | 0.9600 |
| C2—C3 | 1.372 (7) | C24—N3 | 1.443 (7) |
| C2—C7 | 1.422 (6) | C24—H24A | 0.9600 |
| C3—C4 | 1.365 (8) | C24—H24B | 0.9600 |
| C3—H3 | 0.9300 | C24—H24C | 0.9600 |
| C4—C5 | 1.362 (7) | C21—O3 | 1.319 (5) |
| C4—H4 | 0.9300 | C22—O4 | 1.428 (5) |
| C5—C6 | 1.412 (6) | C22—H22A | 0.9600 |
| C5—H5 | 0.9300 | C22—H22C | 0.9600 |
| C6—C7 | 1.406 (6) | C22—H22B | 0.9600 |
| C6—C8 | 1.446 (6) | Zn1—N1 | 2.070 (4) |
| C7—O2 | 1.312 (5) | Zn1—N2 | 2.077 (3) |
| C8—N1 | 1.290 (5) | Zn1—O3 | 2.028 (3) |
| C8—H8 | 0.9300 | Zn1—O2 | 2.014 (3) |
| C9—C10 | 1.372 (6) | Zn1—Cl2 | 2.2686 (14) |
| C9—C14 | 1.406 (6) | Pb1—O1 | 2.791 (4) |
| C9—N1 | 1.419 (5) | Pb1—O2 | 2.476 (3) |
| C10—C11 | 1.379 (6) | Pb1—O3 | 2.420 (3) |
| C10—H10 | 0.9300 | Pb1—O4 | 2.667 (3) |
| C11—C12 | 1.379 (7) | Pb1—O5 | 2.741 (5) |
| C11—H11 | 0.9300 | Pb1—O5' | 2.746 (7) |
| C12—C13 | 1.369 (6) | Pb1—Cl1 | 2.6088 (15) |
| C12—H12 | 0.9300 | C27—S1 | 1.829 (6) |
| C13—C14 | 1.388 (6) | C27—H27A | 0.9600 |
| C13—H13 | 0.9300 | C27—H27B | 0.9600 |
| C14—N2 | 1.422 (5) | C27—H27C | 0.9600 |
| C15—N2 | 1.292 (5) | C26—S1 | 1.809 (6) |
| C15—C16 | 1.441 (6) | C26—H26A | 0.9600 |
| C15—H15 | 0.9300 | C26—H26B | 0.9600 |
| C16—C21 | 1.409 (6) | C26—H26C | 0.9600 |
| C16—C17 | 1.418 (6) | S1—O5 | 1.506 (5) |
| C17—C18 | 1.349 (6) | C27'—S1' | 1.838 (7) |
| C17—H17 | 0.9300 | C27'—H27D | 0.9600 |
| C18—C19 | 1.402 (7) | C27'—H27E | 0.9600 |
| C18—H18 | 0.9300 | C27'—H27F | 0.9600 |
| C19—C20 | 1.359 (6) | C26'—S1' | 1.809 (6) |
| C19—H19 | 0.9300 | C26'—H26D | 0.9600 |
| C20—O4 | 1.375 (5) | C26'—H26E | 0.9600 |
| C20—C21 | 1.421 (6) | C26'—H26F | 0.9600 |
| C25—O6 | 1.230 (7) | S1'—O5' | 1.492 (7) |
| C25—N3 | 1.314 (7) | ||
| O1—C1—H1A | 109.5 | H24A—C24—H24C | 109.5 |
| O1—C1—H1B | 109.5 | H24B—C24—H24C | 109.5 |
| H1A—C1—H1B | 109.5 | O3—C21—C16 | 124.6 (4) |
| O1—C1—H1C | 109.5 | O3—C21—C20 | 118.0 (4) |
| H1A—C1—H1C | 109.5 | C16—C21—C20 | 117.4 (4) |
| H1B—C1—H1C | 109.5 | O4—C22—H22A | 109.5 |
| O1—C2—C3 | 125.5 (5) | O4—C22—H22C | 109.5 |
| O1—C2—C7 | 113.5 (4) | H22A—C22—H22C | 109.5 |
| C3—C2—C7 | 121.0 (5) | O4—C22—H22B | 109.5 |
| C4—C3—C2 | 120.7 (5) | H22A—C22—H22B | 109.5 |
| C4—C3—H3 | 119.6 | H22C—C22—H22B | 109.5 |
| C2—C3—H3 | 119.6 | C8—N1—C9 | 120.7 (4) |
| C5—C4—C3 | 120.6 (5) | C8—N1—Zn1 | 127.6 (3) |
| C5—C4—H4 | 119.7 | C9—N1—Zn1 | 111.1 (3) |
| C3—C4—H4 | 119.7 | C15—N2—C14 | 122.1 (4) |
| C4—C5—C6 | 120.5 (5) | C15—N2—Zn1 | 127.4 (3) |
| C4—C5—H5 | 119.8 | C14—N2—Zn1 | 110.5 (3) |
| C6—C5—H5 | 119.8 | C25—N3—C23 | 119.7 (6) |
| C7—C6—C5 | 119.8 (4) | C25—N3—C24 | 121.6 (6) |
| C7—C6—C8 | 123.9 (4) | C23—N3—C24 | 118.7 (6) |
| C5—C6—C8 | 116.3 (4) | C21—O3—Zn1 | 128.2 (3) |
| O2—C7—C6 | 125.0 (4) | C21—O3—Pb1 | 127.8 (3) |
| O2—C7—C2 | 117.8 (4) | Zn1—O3—Pb1 | 103.89 (12) |
| C6—C7—C2 | 117.2 (4) | C7—O2—Zn1 | 129.2 (3) |
| N1—C8—C6 | 125.2 (4) | C7—O2—Pb1 | 127.3 (3) |
| N1—C8—H8 | 117.4 | Zn1—O2—Pb1 | 102.38 (12) |
| C6—C8—H8 | 117.4 | C2—O1—C1 | 119.2 (4) |
| C10—C9—C14 | 119.8 (4) | C20—O4—C22 | 118.9 (4) |
| C10—C9—N1 | 125.1 (4) | C20—O4—Pb1 | 118.5 (3) |
| C14—C9—N1 | 115.1 (4) | C22—O4—Pb1 | 122.6 (3) |
| C9—C10—C11 | 120.0 (5) | O2—Zn1—O3 | 81.97 (12) |
| C9—C10—H10 | 120.0 | O2—Zn1—N1 | 88.26 (13) |
| C11—C10—H10 | 120.0 | O3—Zn1—N1 | 140.59 (14) |
| C10—C11—C12 | 120.3 (4) | O2—Zn1—N2 | 144.80 (14) |
| C10—C11—H11 | 119.8 | O3—Zn1—N2 | 87.68 (13) |
| C12—C11—H11 | 119.8 | N1—Zn1—N2 | 78.68 (14) |
| C13—C12—C11 | 120.4 (5) | O2—Zn1—Cl2 | 108.35 (10) |
| C13—C12—H12 | 119.8 | O3—Zn1—Cl2 | 109.75 (10) |
| C11—C12—H12 | 119.8 | N1—Zn1—Cl2 | 109.57 (11) |
| C12—C13—C14 | 120.1 (4) | N2—Zn1—Cl2 | 106.82 (10) |
| C12—C13—H13 | 120.0 | O3—Pb1—O2 | 65.53 (10) |
| C14—C13—H13 | 120.0 | O3—Pb1—Cl1 | 92.31 (8) |
| C13—C14—C9 | 119.3 (4) | O2—Pb1—Cl1 | 93.86 (9) |
| C13—C14—N2 | 124.8 (4) | O3—Pb1—O4 | 61.32 (10) |
| C9—C14—N2 | 115.8 (4) | O2—Pb1—O4 | 126.34 (10) |
| N2—C15—C16 | 125.1 (4) | Cl1—Pb1—O4 | 81.62 (8) |
| N2—C15—H15 | 117.5 | O3—Pb1—O5 | 143.8 (5) |
| C16—C15—H15 | 117.5 | O2—Pb1—O5 | 150.6 (5) |
| C21—C16—C17 | 119.3 (4) | Cl1—Pb1—O5 | 86.06 (18) |
| C21—C16—C15 | 124.0 (4) | O4—Pb1—O5 | 82.8 (5) |
| C17—C16—C15 | 116.6 (4) | O3—Pb1—O5' | 151.5 (8) |
| C18—C17—C16 | 121.5 (5) | O2—Pb1—O5' | 142.5 (8) |
| C18—C17—H17 | 119.3 | Cl1—Pb1—O5' | 90.82 (17) |
| C16—C17—H17 | 119.3 | O4—Pb1—O5' | 91.2 (8) |
| C17—C18—C19 | 119.7 (5) | O5—Pb1—O5' | 9.1 (12) |
| C17—C18—H18 | 120.1 | O5—S1—C26 | 109.0 (10) |
| C19—C18—H18 | 120.1 | O5—S1—C27 | 102.6 (9) |
| C20—C19—C18 | 120.2 (4) | C26—S1—C27 | 90.6 (8) |
| C20—C19—H19 | 119.9 | S1—O5—Pb1 | 153.7 (5) |
| C18—C19—H19 | 119.9 | S1'—C27'—H27D | 109.5 |
| C19—C20—O4 | 124.2 (4) | S1'—C27'—H27E | 109.5 |
| C19—C20—C21 | 121.8 (4) | H27D—C27'—H27E | 109.5 |
| O4—C20—C21 | 114.0 (4) | S1'—C27'—H27F | 109.5 |
| O6—C25—N3 | 125.9 (6) | H27D—C27'—H27F | 109.5 |
| O6—C25—H25 | 117.0 | H27E—C27'—H27F | 109.5 |
| N3—C25—H25 | 117.0 | S1'—C26'—H26D | 109.5 |
| N3—C23—H23A | 109.5 | S1'—C26'—H26E | 109.5 |
| N3—C23—H23B | 109.5 | H26D—C26'—H26E | 109.5 |
| H23A—C23—H23B | 109.5 | S1'—C26'—H26F | 109.5 |
| N3—C23—H23C | 109.5 | H26D—C26'—H26F | 109.5 |
| H23A—C23—H23C | 109.5 | H26E—C26'—H26F | 109.5 |
| H23B—C23—H23C | 109.5 | O5'—S1'—C26' | 99.2 (11) |
| N3—C24—H24A | 109.5 | O5'—S1'—C27' | 98.7 (16) |
| N3—C24—H24B | 109.5 | C26'—S1'—C27' | 92.7 (12) |
| H24A—C24—H24B | 109.5 | S1'—O5'—Pb1 | 112.7 (5) |
| N3—C24—H24C | 109.5 |
Selected bond lengths (Å)
| Zn1—N1 | 2.070 (4) |
| Zn1—N2 | 2.077 (3) |
| Zn1—O3 | 2.028 (3) |
| Zn1—O2 | 2.014 (3) |
| Zn1—Cl2 | 2.2686 (14) |
| Pb1—O1 | 2.791 (4) |
| Pb1—O2 | 2.476 (3) |
| Pb1—O3 | 2.420 (3) |
| Pb1—O4 | 2.667 (3) |
| Pb1—O5 | 2.741 (5) |
| Pb1—O5′ | 2.746 (7) |
| Pb1—Cl1 | 2.6088 (15) |