Information card for entry 4500270

Structure parameters

• Formula: C36 H28 I4 N8 O4 Zn2
• Calculated formula: C36 H28 I4 N8 O4 Zn2
• SMILES: I[Zn]1(I)[n]2cccc(c2)NC(=O)c2cccc(c2)C(=O)Nc2ccc[n](c2)[Zn](I)(I)[n]2cccc(c2)NC(=O)c2cccc(c2)C(=O)Nc2ccc[n]1c2
• 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: 7.9309 ± 0.0016 Å
• b: 8.821 ± 0.002 Å
• c: 15.17 ± 0.003 Å
• α: 83.763 ± 0.011°
• β: 81.709 ± 0.011°
• γ: 80.531 ± 0.011°
• Cell volume: 1031.9 ± 0.4 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: 0.0882
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No