Information card for entry 7205257

Structure parameters

• Formula: C10 H22 Cd2 N6 O14
• Calculated formula: C10 H22 Cd2 N6 O14
• SMILES: C1(=O)N2C(=CC(=O)N1)C(=O)[O]1[Cd]2([NH3])([O]2C(=O)C3=CC(=O)NC(=O)N3[Cd]12([NH3])([OH2])[OH2])([OH2])[OH2].O.O
• 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: 6.5073 ± 0.0005 Å
• b: 9.4505 ± 0.0008 Å
• c: 9.567 ± 0.0009 Å
• α: 65.998 ± 0.007°
• β: 85.229 ± 0.007°
• γ: 72.619 ± 0.007°
• Cell volume: 512.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0533
• 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: No