Information card for entry 4500269

Structure parameters

• Formula: C36 H28 Br4 N8 O4 Zn2
• Calculated formula: C36 H28 Br4 N8 O4 Zn2
• SMILES: Br[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)(Br)Br)Br
• 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: 7.8225 ± 0.0009 Å
• b: 8.4218 ± 0.0009 Å
• c: 14.8851 ± 0.0016 Å
• α: 82.023 ± 0.002°
• β: 80.663 ± 0.002°
• γ: 78.46 ± 0.002°
• Cell volume: 942.32 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No