| Literature DB >> 21582657 |
Elham Sattarzadeh, Gholamhossein Mohammadnezhad, Mostafa M Amini, Seik Weng Ng.
Abstract
In the centrosymmetric title compound, [Zn(4)(C(9)H(6)NO)(6)(C(2)H(3)O(2))(2)]·2H(2)O, the Zn(II) atom that is bonded to one O atom of the acetate group is chelated by a quinolin-8-olate anion. This Zn atom is also bonded to the oxide O atoms of two other quinolin-8-olate anions, which themselves engage in chelation to the other Zn(II) atoms. The Zn(II) atom is five-coordinate in a square-pyramidal coordination geometry. The second Zn(II) atom is six-coordinate as it is linked to two oxide O atoms of the anions that chelate to the acetate-bound metal atom, and is chelated by two quinolin-8-olate ligands. The uncoordinated water mol-ecule is disordered over two positions in a 4:1 ratio. O-H⋯O hydrogen bonds between the water molecules and the free O atoms of the carboxylate groups consolidate the crystal packing.Entities:
Year: 2009 PMID: 21582657 PMCID: PMC2969311 DOI: 10.1107/S1600536809020157
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Zn4(C9H6NO)6(C2H3O2)2]·2H2O | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 2730 reflections | |
| θ = 2.3–26.7° | |
| µ = 1.84 mm−1 | |
| α = 111.070 (2)° | |
| β = 107.740 (2)° | Prism, yellow |
| γ = 112.579 (2)° | 0.15 × 0.10 × 0.05 mm |
| Bruker SMART APEX diffractometer | 6146 independent reflections |
| Radiation source: fine-focus sealed tube | 4418 reflections with |
| graphite | |
| ω scans | θmax = 27.5°, θmin = 1.9° |
| Absorption correction: multi-scan ( | |
| 12632 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 | |
| 6146 reflections | (Δ/σ)max = 0.001 |
| 372 parameters | Δρmax = 0.63 e Å−3 |
| 12 restraints | Δρmin = −0.44 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. |
| Occ. (<1) | |||||
| Zn1 | 0.73984 (4) | 0.30627 (4) | 0.26111 (3) | 0.01608 (10) | |
| Zn2 | 0.97306 (4) | 0.63077 (4) | 0.52018 (3) | 0.01623 (10) | |
| O1 | 0.8598 (2) | 0.5204 (2) | 0.32955 (19) | 0.0198 (5) | |
| O2 | 0.8541 (2) | 0.4092 (2) | 0.46797 (19) | 0.0163 (4) | |
| O3 | 0.8952 (2) | 0.2597 (2) | 0.28947 (19) | 0.0186 (5) | |
| O4 | 0.5060 (3) | 0.3123 (3) | 0.1537 (2) | 0.0303 (6) | |
| O5 | 0.6110 (2) | 0.2083 (2) | 0.0791 (2) | 0.0209 (5) | |
| O1W | 0.5348 (9) | 0.5762 (6) | 0.1876 (6) | 0.090 (3) | 0.80 (2) |
| H1W1 | 0.5392 | 0.5080 | 0.1901 | 0.135* | 0.80 (2) |
| H1W2 | 0.4513 | 0.5621 | 0.1737 | 0.135* | 0.80 (2) |
| O1W' | 0.463 (4) | 0.542 (3) | 0.223 (2) | 0.092 (12) | 0.20 (2) |
| H1W3 | 0.4545 | 0.4638 | 0.1826 | 0.139* | 0.20 (2) |
| H1W4 | 0.4981 | 0.5977 | 0.2003 | 0.139* | 0.20 (2) |
| N1 | 1.0559 (3) | 0.8045 (3) | 0.4946 (2) | 0.0182 (6) | |
| N2 | 0.5909 (3) | 0.1627 (3) | 0.2853 (2) | 0.0178 (6) | |
| N3 | 1.1687 (3) | 0.3302 (3) | 0.4247 (2) | 0.0174 (6) | |
| C1 | 1.1537 (3) | 0.9450 (4) | 0.5797 (3) | 0.0232 (7) | |
| H1A | 1.1990 | 0.9756 | 0.6641 | 0.028* | |
| C2 | 1.1928 (4) | 1.0508 (4) | 0.5495 (3) | 0.0276 (8) | |
| H2A | 1.2638 | 1.1509 | 0.6124 | 0.033* | |
| C3 | 1.1272 (4) | 1.0069 (4) | 0.4285 (4) | 0.0284 (8) | |
| H3 | 1.1520 | 1.0772 | 0.4069 | 0.034* | |
| C4 | 1.0221 (4) | 0.8573 (4) | 0.3345 (3) | 0.0241 (7) | |
| C5 | 0.9514 (4) | 0.8022 (4) | 0.2072 (3) | 0.0316 (8) | |
| H5 | 0.9698 | 0.8670 | 0.1795 | 0.038* | |
| C6 | 0.8564 (4) | 0.6556 (4) | 0.1240 (3) | 0.0329 (9) | |
| H6 | 0.8110 | 0.6192 | 0.0383 | 0.040* | |
| C7 | 0.8239 (4) | 0.5569 (4) | 0.1620 (3) | 0.0267 (8) | |
| H7 | 0.7578 | 0.4554 | 0.1016 | 0.032* | |
| C8 | 0.8863 (3) | 0.6050 (3) | 0.2849 (3) | 0.0202 (7) | |
| C9 | 0.9897 (3) | 0.7585 (3) | 0.3730 (3) | 0.0177 (6) | |
| C10 | 0.4661 (3) | 0.0363 (4) | 0.1931 (3) | 0.0229 (7) | |
| H10 | 0.4467 | 0.0028 | 0.1112 | 0.028* | |
| C11 | 0.3616 (4) | −0.0494 (4) | 0.2128 (3) | 0.0258 (8) | |
| H11 | 0.2737 | −0.1402 | 0.1449 | 0.031* | |
| C12 | 0.3862 (3) | −0.0027 (4) | 0.3285 (3) | 0.0234 (7) | |
| H12 | 0.3139 | −0.0592 | 0.3416 | 0.028* | |
| C13 | 0.5199 (3) | 0.1307 (3) | 0.4303 (3) | 0.0198 (7) | |
| C14 | 0.5559 (4) | 0.1872 (4) | 0.5534 (3) | 0.0237 (7) | |
| H14 | 0.4878 | 0.1370 | 0.5730 | 0.028* | |
| C15 | 0.6902 (4) | 0.3157 (4) | 0.6457 (3) | 0.0233 (7) | |
| H15 | 0.7142 | 0.3536 | 0.7290 | 0.028* | |
| C16 | 0.7934 (3) | 0.3927 (3) | 0.6193 (3) | 0.0196 (7) | |
| H16 | 0.8864 | 0.4800 | 0.6852 | 0.024* | |
| C17 | 0.7617 (3) | 0.3435 (3) | 0.5006 (3) | 0.0164 (6) | |
| C18 | 0.6216 (3) | 0.2095 (3) | 0.4029 (3) | 0.0168 (6) | |
| C19 | 1.3027 (3) | 0.3629 (3) | 0.4935 (3) | 0.0228 (7) | |
| H19 | 1.3424 | 0.4049 | 0.5797 | 0.027* | |
| C20 | 1.3880 (4) | 0.3375 (3) | 0.4430 (3) | 0.0234 (7) | |
| H20 | 1.4818 | 0.3580 | 0.4943 | 0.028* | |
| C21 | 1.3372 (4) | 0.2840 (4) | 0.3216 (3) | 0.0265 (8) | |
| H21 | 1.3965 | 0.2700 | 0.2881 | 0.032* | |
| C22 | 1.1942 (4) | 0.2489 (4) | 0.2443 (3) | 0.0250 (7) | |
| C23 | 1.1331 (4) | 0.1976 (5) | 0.1187 (3) | 0.0376 (10) | |
| H23 | 1.1877 | 0.1843 | 0.0795 | 0.045* | |
| C24 | 0.9941 (4) | 0.1666 (5) | 0.0524 (3) | 0.0389 (10) | |
| H24 | 0.9531 | 0.1312 | −0.0330 | 0.047* | |
| C25 | 0.9106 (4) | 0.1857 (4) | 0.1075 (3) | 0.0282 (8) | |
| H25 | 0.8143 | 0.1625 | 0.0588 | 0.034* | |
| C26 | 0.9662 (3) | 0.2371 (3) | 0.2302 (3) | 0.0197 (7) | |
| C27 | 1.1122 (3) | 0.2711 (3) | 0.3013 (3) | 0.0181 (6) | |
| C28 | 0.5110 (4) | 0.2375 (4) | 0.0656 (3) | 0.0255 (8) | |
| C29 | 0.3962 (4) | 0.1727 (5) | −0.0659 (4) | 0.0422 (10) | |
| H29A | 0.3284 | 0.2048 | −0.0657 | 0.063* | |
| H29B | 0.3393 | 0.0662 | −0.1102 | 0.063* | |
| H29C | 0.4466 | 0.2050 | −0.1070 | 0.063* |
| Zn1 | 0.01469 (19) | 0.01421 (19) | 0.0145 (2) | 0.00664 (16) | 0.00615 (15) | 0.00615 (16) |
| Zn2 | 0.01675 (19) | 0.01366 (19) | 0.0148 (2) | 0.00730 (16) | 0.00658 (16) | 0.00720 (16) |
| O1 | 0.0218 (11) | 0.0119 (11) | 0.0143 (11) | 0.0041 (9) | 0.0047 (9) | 0.0067 (9) |
| O2 | 0.0158 (11) | 0.0131 (11) | 0.0192 (12) | 0.0064 (9) | 0.0102 (9) | 0.0090 (9) |
| O3 | 0.0176 (11) | 0.0180 (11) | 0.0161 (12) | 0.0093 (10) | 0.0085 (9) | 0.0065 (10) |
| O4 | 0.0328 (14) | 0.0316 (14) | 0.0345 (15) | 0.0214 (12) | 0.0194 (12) | 0.0191 (12) |
| O5 | 0.0185 (11) | 0.0206 (12) | 0.0161 (12) | 0.0101 (10) | 0.0059 (9) | 0.0071 (10) |
| O1W | 0.094 (5) | 0.061 (3) | 0.112 (5) | 0.056 (3) | 0.039 (3) | 0.041 (3) |
| O1W' | 0.099 (15) | 0.090 (13) | 0.093 (14) | 0.065 (11) | 0.030 (7) | 0.056 (9) |
| N1 | 0.0178 (13) | 0.0154 (13) | 0.0205 (14) | 0.0095 (12) | 0.0101 (12) | 0.0084 (12) |
| N2 | 0.0173 (13) | 0.0158 (13) | 0.0177 (14) | 0.0084 (11) | 0.0081 (11) | 0.0085 (12) |
| N3 | 0.0183 (13) | 0.0129 (13) | 0.0205 (14) | 0.0084 (11) | 0.0087 (12) | 0.0099 (12) |
| C1 | 0.0205 (17) | 0.0201 (17) | 0.0247 (18) | 0.0102 (15) | 0.0117 (15) | 0.0096 (15) |
| C2 | 0.0243 (18) | 0.0160 (17) | 0.039 (2) | 0.0092 (15) | 0.0188 (17) | 0.0115 (16) |
| C3 | 0.0301 (19) | 0.0231 (18) | 0.046 (2) | 0.0149 (16) | 0.0276 (18) | 0.0240 (18) |
| C4 | 0.0244 (17) | 0.0251 (18) | 0.034 (2) | 0.0146 (15) | 0.0196 (16) | 0.0211 (17) |
| C5 | 0.039 (2) | 0.037 (2) | 0.034 (2) | 0.0209 (19) | 0.0246 (18) | 0.0283 (19) |
| C6 | 0.039 (2) | 0.037 (2) | 0.023 (2) | 0.0191 (19) | 0.0151 (17) | 0.0194 (18) |
| C7 | 0.0272 (18) | 0.0253 (18) | 0.0187 (18) | 0.0090 (16) | 0.0091 (15) | 0.0124 (15) |
| C8 | 0.0214 (16) | 0.0189 (16) | 0.0221 (18) | 0.0107 (14) | 0.0125 (14) | 0.0123 (15) |
| C9 | 0.0174 (15) | 0.0175 (16) | 0.0203 (17) | 0.0107 (13) | 0.0107 (14) | 0.0100 (14) |
| C10 | 0.0193 (16) | 0.0185 (17) | 0.0210 (18) | 0.0088 (14) | 0.0048 (14) | 0.0084 (14) |
| C11 | 0.0168 (16) | 0.0160 (17) | 0.029 (2) | 0.0034 (14) | 0.0040 (15) | 0.0113 (15) |
| C12 | 0.0173 (16) | 0.0220 (17) | 0.035 (2) | 0.0096 (14) | 0.0136 (15) | 0.0198 (16) |
| C13 | 0.0175 (16) | 0.0202 (17) | 0.0267 (19) | 0.0114 (14) | 0.0122 (14) | 0.0155 (15) |
| C14 | 0.0224 (17) | 0.0262 (18) | 0.033 (2) | 0.0139 (15) | 0.0180 (16) | 0.0213 (17) |
| C15 | 0.0298 (18) | 0.0265 (18) | 0.0239 (18) | 0.0179 (16) | 0.0168 (16) | 0.0178 (16) |
| C16 | 0.0210 (16) | 0.0167 (16) | 0.0209 (17) | 0.0102 (14) | 0.0105 (14) | 0.0103 (14) |
| C17 | 0.0195 (16) | 0.0153 (15) | 0.0210 (17) | 0.0122 (14) | 0.0114 (14) | 0.0119 (14) |
| C18 | 0.0175 (15) | 0.0154 (15) | 0.0187 (17) | 0.0110 (13) | 0.0092 (13) | 0.0084 (13) |
| C19 | 0.0178 (16) | 0.0144 (16) | 0.0244 (18) | 0.0056 (14) | 0.0040 (14) | 0.0098 (14) |
| C20 | 0.0187 (16) | 0.0166 (16) | 0.034 (2) | 0.0112 (14) | 0.0107 (15) | 0.0143 (15) |
| C21 | 0.0226 (17) | 0.0216 (17) | 0.036 (2) | 0.0138 (15) | 0.0168 (16) | 0.0129 (16) |
| C22 | 0.0260 (18) | 0.0200 (17) | 0.029 (2) | 0.0143 (15) | 0.0157 (16) | 0.0109 (15) |
| C23 | 0.035 (2) | 0.053 (3) | 0.029 (2) | 0.029 (2) | 0.0220 (19) | 0.017 (2) |
| C24 | 0.033 (2) | 0.058 (3) | 0.019 (2) | 0.026 (2) | 0.0135 (17) | 0.0129 (19) |
| C25 | 0.0234 (18) | 0.036 (2) | 0.0217 (19) | 0.0177 (17) | 0.0110 (15) | 0.0113 (17) |
| C26 | 0.0194 (16) | 0.0146 (16) | 0.0211 (18) | 0.0089 (14) | 0.0096 (14) | 0.0076 (14) |
| C27 | 0.0197 (16) | 0.0125 (15) | 0.0198 (17) | 0.0086 (13) | 0.0092 (14) | 0.0079 (13) |
| C28 | 0.0226 (17) | 0.0231 (18) | 0.0262 (19) | 0.0104 (15) | 0.0105 (15) | 0.0137 (16) |
| C29 | 0.031 (2) | 0.050 (3) | 0.035 (2) | 0.023 (2) | 0.0066 (18) | 0.022 (2) |
| Zn1—O5 | 2.000 (2) | C5—C6 | 1.364 (5) |
| Zn1—O1 | 2.007 (2) | C5—H5 | 0.9500 |
| Zn1—O3 | 2.009 (2) | C6—C7 | 1.407 (5) |
| Zn1—N2 | 2.093 (3) | C6—H6 | 0.9500 |
| Zn1—O2 | 2.265 (2) | C7—C8 | 1.374 (4) |
| Zn2—O1 | 2.070 (2) | C7—H7 | 0.9500 |
| Zn2—O3i | 2.078 (2) | C8—C9 | 1.433 (4) |
| Zn2—N3i | 2.098 (3) | C10—C11 | 1.402 (5) |
| Zn2—N1 | 2.111 (3) | C10—H10 | 0.9500 |
| Zn2—O2 | 2.137 (2) | C11—C12 | 1.353 (5) |
| Zn2—O2i | 2.158 (2) | C11—H11 | 0.9500 |
| O1—C8 | 1.331 (4) | C12—C13 | 1.419 (4) |
| O2—C17 | 1.341 (3) | C12—H12 | 0.9500 |
| O2—Zn2i | 2.158 (2) | C13—C14 | 1.403 (5) |
| O3—C26 | 1.329 (4) | C13—C18 | 1.421 (4) |
| O3—Zn2i | 2.078 (2) | C14—C15 | 1.374 (5) |
| O4—C28 | 1.236 (4) | C14—H14 | 0.9500 |
| O5—C28 | 1.288 (4) | C15—C16 | 1.412 (4) |
| O1W—H1W1 | 0.8399 | C15—H15 | 0.9500 |
| O1W—H1W2 | 0.8400 | C16—C17 | 1.367 (4) |
| O1W—H1W3 | 1.2538 | C16—H16 | 0.9500 |
| O1W—H1W4 | 0.6012 | C17—C18 | 1.437 (4) |
| O1W'—H1W1 | 1.2197 | C19—C20 | 1.404 (5) |
| O1W'—H1W2 | 0.7744 | C19—H19 | 0.9500 |
| O1W'—H1W3 | 0.8400 | C20—C21 | 1.352 (5) |
| O1W'—H1W4 | 0.8400 | C20—H20 | 0.9500 |
| N1—C1 | 1.322 (4) | C21—C22 | 1.425 (5) |
| N1—C9 | 1.364 (4) | C21—H21 | 0.9500 |
| N2—C10 | 1.324 (4) | C22—C23 | 1.399 (5) |
| N2—C18 | 1.357 (4) | C22—C27 | 1.416 (4) |
| N3—C19 | 1.323 (4) | C23—C24 | 1.371 (5) |
| N3—C27 | 1.362 (4) | C23—H23 | 0.9500 |
| N3—Zn2i | 2.098 (3) | C24—C25 | 1.406 (5) |
| C1—C2 | 1.408 (5) | C24—H24 | 0.9500 |
| C1—H1A | 0.9500 | C25—C26 | 1.367 (5) |
| C2—C3 | 1.363 (5) | C25—H25 | 0.9500 |
| C2—H2A | 0.9500 | C26—C27 | 1.438 (4) |
| C3—C4 | 1.418 (5) | C28—C29 | 1.514 (5) |
| C3—H3 | 0.9500 | C29—H29A | 0.9800 |
| C4—C5 | 1.409 (5) | C29—H29B | 0.9800 |
| C4—C9 | 1.414 (4) | C29—H29C | 0.9800 |
| O5—Zn1—O1 | 106.13 (9) | O1—C8—C7 | 125.4 (3) |
| O5—Zn1—O3 | 107.95 (9) | O1—C8—C9 | 116.9 (3) |
| O1—Zn1—O3 | 102.85 (9) | C7—C8—C9 | 117.7 (3) |
| O5—Zn1—N2 | 97.79 (9) | N1—C9—C4 | 121.8 (3) |
| O1—Zn1—N2 | 138.81 (10) | N1—C9—C8 | 117.3 (3) |
| O3—Zn1—N2 | 100.90 (9) | C4—C9—C8 | 121.0 (3) |
| O5—Zn1—O2 | 171.45 (8) | N2—C10—C11 | 121.9 (3) |
| O1—Zn1—O2 | 76.48 (8) | N2—C10—H10 | 119.1 |
| O3—Zn1—O2 | 79.00 (8) | C11—C10—H10 | 119.1 |
| N2—Zn1—O2 | 75.65 (9) | C12—C11—C10 | 120.0 (3) |
| O1—Zn2—O3i | 174.06 (8) | C12—C11—H11 | 120.0 |
| O1—Zn2—N3i | 106.56 (9) | C10—C11—H11 | 120.0 |
| O3i—Zn2—N3i | 79.38 (9) | C11—C12—C13 | 120.0 (3) |
| O1—Zn2—N1 | 79.00 (9) | C11—C12—H12 | 120.0 |
| O3i—Zn2—N1 | 100.41 (9) | C13—C12—H12 | 120.0 |
| N3i—Zn2—N1 | 97.67 (10) | C14—C13—C12 | 124.1 (3) |
| O1—Zn2—O2 | 78.13 (8) | C14—C13—C18 | 119.3 (3) |
| O3i—Zn2—O2 | 101.96 (8) | C12—C13—C18 | 116.6 (3) |
| N3i—Zn2—O2 | 92.21 (9) | C15—C14—C13 | 119.5 (3) |
| N1—Zn2—O2 | 156.85 (9) | C15—C14—H14 | 120.2 |
| O1—Zn2—O2i | 94.12 (8) | C13—C14—H14 | 120.2 |
| O3i—Zn2—O2i | 80.07 (8) | C14—C15—C16 | 121.4 (3) |
| N3i—Zn2—O2i | 156.41 (9) | C14—C15—H15 | 119.3 |
| N1—Zn2—O2i | 97.33 (8) | C16—C15—H15 | 119.3 |
| O2—Zn2—O2i | 80.84 (8) | C17—C16—C15 | 121.1 (3) |
| C8—O1—Zn1 | 137.0 (2) | C17—C16—H16 | 119.5 |
| C8—O1—Zn2 | 114.79 (19) | C15—C16—H16 | 119.5 |
| Zn1—O1—Zn2 | 108.21 (9) | O2—C17—C16 | 124.7 (3) |
| C17—O2—Zn2 | 130.34 (18) | O2—C17—C18 | 117.0 (3) |
| C17—O2—Zn2i | 116.92 (17) | C16—C17—C18 | 118.3 (3) |
| Zn2—O2—Zn2i | 99.16 (8) | N2—C18—C13 | 122.0 (3) |
| C17—O2—Zn1 | 111.59 (18) | N2—C18—C17 | 117.6 (3) |
| Zn2—O2—Zn1 | 97.19 (8) | C13—C18—C17 | 120.3 (3) |
| Zn2i—O2—Zn1 | 94.70 (8) | N3—C19—C20 | 122.0 (3) |
| C26—O3—Zn1 | 132.98 (19) | N3—C19—H19 | 119.0 |
| C26—O3—Zn2i | 113.58 (18) | C20—C19—H19 | 119.0 |
| Zn1—O3—Zn2i | 105.54 (9) | C21—C20—C19 | 120.3 (3) |
| C28—O5—Zn1 | 105.6 (2) | C21—C20—H20 | 119.9 |
| H1W1—O1W—H1W2 | 110.6 | C19—C20—H20 | 119.9 |
| H1W3—O1W'—H1W4 | 108.9 | C20—C21—C22 | 119.6 (3) |
| C1—N1—C9 | 119.7 (3) | C20—C21—H21 | 120.2 |
| C1—N1—Zn2 | 128.3 (2) | C22—C21—H21 | 120.2 |
| C9—N1—Zn2 | 111.9 (2) | C23—C22—C27 | 119.2 (3) |
| C10—N2—C18 | 119.5 (3) | C23—C22—C21 | 124.3 (3) |
| C10—N2—Zn1 | 123.8 (2) | C27—C22—C21 | 116.6 (3) |
| C18—N2—Zn1 | 116.6 (2) | C24—C23—C22 | 119.6 (3) |
| C19—N3—C27 | 119.0 (3) | C24—C23—H23 | 120.2 |
| C19—N3—Zn2i | 128.9 (2) | C22—C23—H23 | 120.2 |
| C27—N3—Zn2i | 111.93 (19) | C23—C24—C25 | 121.7 (3) |
| N1—C1—C2 | 122.3 (3) | C23—C24—H24 | 119.1 |
| N1—C1—H1A | 118.8 | C25—C24—H24 | 119.1 |
| C2—C1—H1A | 118.8 | C26—C25—C24 | 120.8 (3) |
| C3—C2—C1 | 118.8 (3) | C26—C25—H25 | 119.6 |
| C3—C2—H2A | 120.6 | C24—C25—H25 | 119.6 |
| C1—C2—H2A | 120.6 | O3—C26—C25 | 124.5 (3) |
| C2—C3—C4 | 120.6 (3) | O3—C26—C27 | 117.3 (3) |
| C2—C3—H3 | 119.7 | C25—C26—C27 | 118.2 (3) |
| C4—C3—H3 | 119.7 | N3—C27—C22 | 122.4 (3) |
| C5—C4—C9 | 118.9 (3) | N3—C27—C26 | 117.1 (3) |
| C5—C4—C3 | 124.3 (3) | C22—C27—C26 | 120.5 (3) |
| C9—C4—C3 | 116.8 (3) | O4—C28—O5 | 122.9 (3) |
| C6—C5—C4 | 119.7 (3) | O4—C28—C29 | 121.1 (3) |
| C6—C5—H5 | 120.2 | O5—C28—C29 | 116.0 (3) |
| C4—C5—H5 | 120.2 | C28—C29—H29A | 109.5 |
| C5—C6—C7 | 121.6 (3) | C28—C29—H29B | 109.5 |
| C5—C6—H6 | 119.2 | H29A—C29—H29B | 109.5 |
| C7—C6—H6 | 119.2 | C28—C29—H29C | 109.5 |
| C8—C7—C6 | 121.1 (3) | H29A—C29—H29C | 109.5 |
| C8—C7—H7 | 119.4 | H29B—C29—H29C | 109.5 |
| C6—C7—H7 | 119.4 | ||
| O5—Zn1—O1—C8 | −10.2 (3) | Zn1—O1—C8—C7 | 2.4 (5) |
| O3—Zn1—O1—C8 | 103.1 (3) | Zn2—O1—C8—C7 | −179.7 (3) |
| N2—Zn1—O1—C8 | −133.2 (3) | Zn1—O1—C8—C9 | −177.0 (2) |
| O2—Zn1—O1—C8 | 178.2 (3) | Zn2—O1—C8—C9 | 0.9 (3) |
| O5—Zn1—O1—Zn2 | 171.85 (9) | C6—C7—C8—O1 | 178.4 (3) |
| O3—Zn1—O1—Zn2 | −74.88 (11) | C6—C7—C8—C9 | −2.2 (5) |
| N2—Zn1—O1—Zn2 | 48.84 (17) | C1—N1—C9—C4 | −0.2 (4) |
| O2—Zn1—O1—Zn2 | 0.27 (9) | Zn2—N1—C9—C4 | 176.6 (2) |
| N3i—Zn2—O1—C8 | 92.5 (2) | C1—N1—C9—C8 | 179.1 (3) |
| N1—Zn2—O1—C8 | −2.3 (2) | Zn2—N1—C9—C8 | −4.1 (3) |
| O2—Zn2—O1—C8 | −178.7 (2) | C5—C4—C9—N1 | 179.0 (3) |
| O2i—Zn2—O1—C8 | −99.0 (2) | C3—C4—C9—N1 | 0.0 (4) |
| N3i—Zn2—O1—Zn1 | −89.06 (11) | C5—C4—C9—C8 | −0.3 (5) |
| N1—Zn2—O1—Zn1 | 176.12 (12) | C3—C4—C9—C8 | −179.3 (3) |
| O2—Zn2—O1—Zn1 | −0.29 (9) | O1—C8—C9—N1 | 2.3 (4) |
| O2i—Zn2—O1—Zn1 | 79.45 (10) | C7—C8—C9—N1 | −177.2 (3) |
| O1—Zn2—O2—C17 | −126.2 (2) | O1—C8—C9—C4 | −178.4 (3) |
| O3i—Zn2—O2—C17 | 59.9 (2) | C7—C8—C9—C4 | 2.1 (5) |
| N3i—Zn2—O2—C17 | −19.7 (2) | C18—N2—C10—C11 | 1.9 (5) |
| N1—Zn2—O2—C17 | −135.2 (3) | Zn1—N2—C10—C11 | −173.0 (2) |
| O2i—Zn2—O2—C17 | 137.6 (3) | N2—C10—C11—C12 | 0.9 (5) |
| O1—Zn2—O2—Zn2i | 96.21 (9) | C10—C11—C12—C13 | −2.1 (5) |
| O3i—Zn2—O2—Zn2i | −77.72 (9) | C11—C12—C13—C14 | −179.3 (3) |
| N3i—Zn2—O2—Zn2i | −157.33 (10) | C11—C12—C13—C18 | 0.7 (4) |
| N1—Zn2—O2—Zn2i | 87.2 (2) | C12—C13—C14—C15 | 178.4 (3) |
| O2i—Zn2—O2—Zn2i | 0.0 | C18—C13—C14—C15 | −1.7 (5) |
| O1—Zn2—O2—Zn1 | 0.24 (8) | C13—C14—C15—C16 | 0.0 (5) |
| O3i—Zn2—O2—Zn1 | −173.69 (7) | C14—C15—C16—C17 | 1.5 (5) |
| N3i—Zn2—O2—Zn1 | 106.71 (9) | Zn2—O2—C17—C16 | −50.7 (4) |
| N1—Zn2—O2—Zn1 | −8.7 (2) | Zn2i—O2—C17—C16 | 81.0 (3) |
| O2i—Zn2—O2—Zn1 | −95.97 (9) | Zn1—O2—C17—C16 | −171.5 (2) |
| O1—Zn1—O2—C17 | 138.47 (19) | Zn2—O2—C17—C18 | 131.3 (2) |
| O3—Zn1—O2—C17 | −115.28 (19) | Zn2i—O2—C17—C18 | −96.9 (3) |
| N2—Zn1—O2—C17 | −10.89 (18) | Zn1—O2—C17—C18 | 10.5 (3) |
| O1—Zn1—O2—Zn2 | −0.25 (8) | C15—C16—C17—O2 | −179.2 (3) |
| O3—Zn1—O2—Zn2 | 105.99 (9) | C15—C16—C17—C18 | −1.2 (4) |
| N2—Zn1—O2—Zn2 | −149.61 (10) | C10—N2—C18—C13 | −3.4 (4) |
| O1—Zn1—O2—Zn2i | −100.12 (9) | Zn1—N2—C18—C13 | 171.9 (2) |
| O3—Zn1—O2—Zn2i | 6.13 (8) | C10—N2—C18—C17 | 176.8 (3) |
| N2—Zn1—O2—Zn2i | 110.52 (9) | Zn1—N2—C18—C17 | −7.9 (3) |
| O5—Zn1—O3—C26 | 32.8 (3) | C14—C13—C18—N2 | −177.9 (3) |
| O1—Zn1—O3—C26 | −79.1 (3) | C12—C13—C18—N2 | 2.1 (4) |
| N2—Zn1—O3—C26 | 134.8 (3) | C14—C13—C18—C17 | 1.9 (4) |
| O2—Zn1—O3—C26 | −152.3 (3) | C12—C13—C18—C17 | −178.2 (3) |
| O5—Zn1—O3—Zn2i | 178.57 (9) | O2—C17—C18—N2 | −2.5 (4) |
| O1—Zn1—O3—Zn2i | 66.64 (11) | C16—C17—C18—N2 | 179.4 (3) |
| N2—Zn1—O3—Zn2i | −79.45 (11) | O2—C17—C18—C13 | 177.7 (3) |
| O2—Zn1—O3—Zn2i | −6.58 (8) | C16—C17—C18—C13 | −0.4 (4) |
| O1—Zn1—O5—C28 | −72.3 (2) | C27—N3—C19—C20 | −0.5 (5) |
| O3—Zn1—O5—C28 | 178.01 (19) | Zn2i—N3—C19—C20 | −175.8 (2) |
| N2—Zn1—O5—C28 | 73.8 (2) | N3—C19—C20—C21 | 3.0 (5) |
| O1—Zn2—N1—C1 | 179.9 (3) | C19—C20—C21—C22 | −2.1 (5) |
| O3i—Zn2—N1—C1 | −6.2 (3) | C20—C21—C22—C23 | 177.8 (3) |
| N3i—Zn2—N1—C1 | 74.4 (3) | C20—C21—C22—C27 | −0.9 (5) |
| O2—Zn2—N1—C1 | −171.2 (2) | C27—C22—C23—C24 | −1.5 (6) |
| O2i—Zn2—N1—C1 | −87.4 (3) | C21—C22—C23—C24 | 179.8 (4) |
| O1—Zn2—N1—C9 | 3.41 (19) | C22—C23—C24—C25 | 0.3 (7) |
| O3i—Zn2—N1—C9 | 177.39 (19) | C23—C24—C25—C26 | 0.4 (6) |
| N3i—Zn2—N1—C9 | −102.1 (2) | Zn1—O3—C26—C25 | −27.0 (5) |
| O2—Zn2—N1—C9 | 12.4 (3) | Zn2i—O3—C26—C25 | −170.7 (3) |
| O2i—Zn2—N1—C9 | 96.2 (2) | Zn1—O3—C26—C27 | 152.3 (2) |
| O5—Zn1—N2—C10 | 10.5 (3) | Zn2i—O3—C26—C27 | 8.6 (3) |
| O1—Zn1—N2—C10 | 136.1 (2) | C24—C25—C26—O3 | 179.3 (3) |
| O3—Zn1—N2—C10 | −99.5 (2) | C24—C25—C26—C27 | 0.0 (5) |
| O2—Zn1—N2—C10 | −175.1 (3) | C19—N3—C27—C22 | −2.7 (4) |
| O5—Zn1—N2—C18 | −164.5 (2) | Zn2i—N3—C27—C22 | 173.4 (2) |
| O1—Zn1—N2—C18 | −38.9 (3) | C19—N3—C27—C26 | 179.9 (3) |
| O3—Zn1—N2—C18 | 85.4 (2) | Zn2i—N3—C27—C26 | −4.0 (3) |
| O2—Zn1—N2—C18 | 9.9 (2) | C23—C22—C27—N3 | −175.4 (3) |
| C9—N1—C1—C2 | 0.0 (5) | C21—C22—C27—N3 | 3.4 (5) |
| Zn2—N1—C1—C2 | −176.2 (2) | C23—C22—C27—C26 | 1.9 (5) |
| N1—C1—C2—C3 | 0.3 (5) | C21—C22—C27—C26 | −179.3 (3) |
| C1—C2—C3—C4 | −0.5 (5) | O3—C26—C27—N3 | −3.1 (4) |
| C2—C3—C4—C5 | −178.6 (3) | C25—C26—C27—N3 | 176.3 (3) |
| C2—C3—C4—C9 | 0.3 (5) | O3—C26—C27—C22 | 179.5 (3) |
| C9—C4—C5—C6 | −1.5 (5) | C25—C26—C27—C22 | −1.2 (5) |
| C3—C4—C5—C6 | 177.4 (3) | Zn1—O5—C28—O4 | 0.2 (4) |
| C4—C5—C6—C7 | 1.5 (6) | Zn1—O5—C28—C29 | −179.0 (2) |
| C5—C6—C7—C8 | 0.4 (6) |
| H··· | ||||
| O1w—H1w1···O4 | 0.84 | 2.04 | 2.858 (6) | 166 |
| O1w'—H1w3···O4 | 0.84 | 2.04 | 2.83 (2) | 157 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1w—H1w1⋯O4 | 0.84 | 2.04 | 2.858 (6) | 166 |
| O1w’—H1w3⋯O4 | 0.84 | 2.04 | 2.83 (2) | 157 |