Information card for entry 2206109

Structure parameters

• Chemical name: [2,6-Bis(2-pyridylamino)pyridine]dinitratocadmium monohydrate
• Formula: C15 H15 Cd N7 O7
• Calculated formula: C15 H15 Cd N7 O7
• SMILES: [Cd]1234([n]5ccccc5Nc5[n]1c(Nc1[n]2cccc1)ccc5)(ON(=[O]3)=O)[O]=N(O4)=O.O
• Title of publication: [2,6-Bis(2-pyridylamino)pyridine]dinitratocadmium monohydrate
• Authors of publication: Fang, Xiao-Niu; Li, Xin-Fa; Zeng, Xi-Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1123 - m1125
• a: 9.3371 ± 0.0003 Å
• b: 17.5155 ± 0.0005 Å
• c: 11.6735 ± 0.0003 Å
• α: 90°
• β: 96.964 ± 0.001°
• γ: 90°
• Cell volume: 1895.05 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes