Information card for entry 8102582

Structure parameters

• Chemical name: Cd(4-DNPO)~2~(H~2~O)~4~
• Formula: C10 H12 Cd N6 O16
• Calculated formula: C10 H12 Cd N6 O16
• Title of publication: Crystal structure of tetraaquabis(3,5-dinitropyrid-4-one-N-hydroxide)cadmium(II), Cd(H2O)4(C5H2N3O6)2
• Authors of publication: Xu Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 239
• a: 8.5072 ± 0.001 Å
• b: 10.2254 ± 0.0011 Å
• c: 10.5075 ± 0.0012 Å
• α: 90°
• β: 96.65 ± 0.001°
• γ: 90°
• Cell volume: 907.89 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.023
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No