Information card for entry 4513619

Structure parameters

• Formula: C96 H68 N16 O22 Zn4
• Calculated formula: C96 H68 N16 O22 Zn4
• SMILES: c1ccc2c3cccc[n]3[Zn]3([n]2c1)([OH2])OC(=O)c1cc(/N=N/c2ccc(O)cc2)cc(c1)C(=O)O[Zn]12([n]4ccccc4c4[n]1cccc4)[O]=C(O2)c1cc(cc(/N=N/c2ccc(cc2)O)c1)C(=O)O[Zn]1([n]2c(c4cccc[n]14)cccc2)([OH2])OC(=O)c1cc(/N=N/c2ccc(O)cc2)cc(c1)C(=O)O[Zn]12([n]4ccccc4c4[n]1cccc4)[O]=C(O2)c1cc(cc(/N=N/c2ccc(cc2)O)c1)C(=O)O3
• Title of publication: New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels
• Authors of publication: Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 5075
• a: 11.179 ± 0.007 Å
• b: 14.316 ± 0.009 Å
• c: 16.067 ± 0.01 Å
• α: 104.774 ± 0.008°
• β: 108.939 ± 0.008°
• γ: 106.026 ± 0.008°
• Cell volume: 2163 ± 2 ų
• Cell temperature: 213.15 K
• Ambient diffraction temperature: 213.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No