Information card for entry 2223081

Structure parameters

• Chemical name: (Cyclohexanecarboxylato)bis(di-2-pyridylamine)zinc(II) nitrate monohydrate
• Formula: C27 H31 N7 O6 Zn
• Calculated formula: C27 H31 N7 O6 Zn
• SMILES: C1CCCCC1C(=O)O[Zn]12([n]3ccccc3Nc3cccc[n]13)[n]1ccccc1Nc1cccc[n]21.N(=O)(=O)[O-].O
• Title of publication: (Cyclohexanecarboxylato)bis(di-2-pyridylamine)zinc(II) nitrate monohydrate
• Authors of publication: Cai, Ying-Jie; Yang, Jun; Huang, Peng; Lei, Lei; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1144 - m1145
• a: 10.4856 ± 0.0003 Å
• b: 11.6116 ± 0.0013 Å
• c: 13.4876 ± 0.0013 Å
• α: 107.526 ± 0.003°
• β: 106.016 ± 0.003°
• γ: 99.706 ± 0.003°
• Cell volume: 1447.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes