Information card for entry 4500268

Structure parameters

• Formula: C36 H28 Cl4 N8 O4 Zn2
• Calculated formula: C36 H28 Cl4 N8 O4 Zn2
• SMILES: Cl[Zn]1([n]2cccc(c2)NC(=O)c2cccc(c2)C(=O)Nc2ccc[n](c2)[Zn]([n]2cccc(c2)NC(=O)c2cccc(c2)C(=O)Nc2ccc[n]1c2)(Cl)Cl)Cl
• Title of publication: A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach
• Authors of publication: Adarsh, N. N.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 328
• a: 7.8015 ± 0.0006 Å
• b: 8.4145 ± 0.0007 Å
• c: 14.759 ± 0.0011 Å
• α: 82.508 ± 0.001°
• β: 79.936 ± 0.001°
• γ: 77.708 ± 0.001°
• Cell volume: 927.71 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No