Information card for entry 2205846

Structure parameters

• Chemical name: Diaqua(benzimidazole)(nitrato-κO)(1,10-phenanthroline)cadmium(II) nitrate
• Formula: C19 H18 Cd N6 O8
• Calculated formula: C19 H18 Cd N6 O8
• SMILES: [Cd]1(ON(=O)=O)([OH2])([OH2])([n]2cccc3ccc4ccc[n]1c4c23)[n]1c[nH]c2c1cccc2.O=N(=O)[O-]
• Title of publication: Diaqua(benzimidazole)(nitrato-κ<i>O</i>)(1,10-phenanthroline)cadmium(II) nitrate
• Authors of publication: Xiong, Jing; Lei, Xin-Xiang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1097 - m1098
• a: 7.5119 ± 0.0004 Å
• b: 16.9551 ± 0.0009 Å
• c: 17.1127 ± 0.0009 Å
• α: 90°
• β: 90.821 ± 0.001°
• γ: 90°
• Cell volume: 2179.3 ± 0.2 ų
• Cell temperature: 295 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes