Information card for entry 2005834

Structure parameters

• Formula: C12 H21 Cd N6 O6.5
• Calculated formula: C12 H20 Cd N6 O6.5
• Title of publication: A Cadmium(II) Complex of Creatinine, [Cd(C~2~H~3~O~2~)~2~(C~4~H~7~N~3~O)~2~].0.5H~2~O
• Authors of publication: Chotalia, R.; Hambley, T. W.; Ridley, D. D.; Turner, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3043 - 3045
• a: 13.791 ± 0.002 Å
• b: 13.791 ± 0.002 Å
• c: 20.313 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3863.4 ± 1.1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: I 4bw -1bw
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0302
• Goodness-of-fit parameter for all reflections: 2.798
• Goodness-of-fit parameter for significantly intense reflections: 2.798
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No