Information card for entry 7205255

Structure parameters

• Formula: C12 H12 Cd N4 O4
• Calculated formula: C12 H12 Cd N4 O4
• Title of publication: Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters
• Authors of publication: Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1339
• a: 9.5891 ± 0.0005 Å
• b: 16.8764 ± 0.0008 Å
• c: 8.6411 ± 0.0004 Å
• α: 90°
• β: 108.031 ± 0.004°
• γ: 90°
• Cell volume: 1329.71 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No