Information card for entry 2237169

Structure parameters

• Chemical name: Diaquabis[4-(1<i>H</i>-imidazol-2-yl)pyridine-κ<i>N</i>]bis(nitrato- κ<i>O</i>)cadmium
• Formula: C16 H18 Cd N8 O8
• Calculated formula: C16 H18 Cd N8 O8
• SMILES: [OH2][Cd]([n]1ccc(cc1)c1ncc[nH]1)([n]1ccc(cc1)c1ncc[nH]1)(ON(=O)=O)(ON(=O)=O)[OH2]
• Title of publication: Diaquabis[4-(1<i>H</i>-imidazol-2-yl)pyridine-κ<i>N</i>]bis(nitrato-κ<i>O</i>)cadmium
• Authors of publication: Zhang, Chuan-Yue; Wang, Tao; Jin, Chuan-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m67
• a: 7.2508 ± 0.0007 Å
• b: 12.1372 ± 0.0012 Å
• c: 12.3509 ± 0.0012 Å
• α: 90°
• β: 102.278 ± 0.002°
• γ: 90°
• Cell volume: 1062.07 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes