Information card for entry 1563191

Structure parameters

• Formula: C20 H32 Cd4 N8 O28
• Calculated formula: C20 H32 Cd4 N8 O28
• SMILES: C1(=O)C2=CC(=O)NC(=O)N2[Cd]2(O1)([OH2])([O]1[Cd]345([OH2])([OH2][Cd]6(N7C(=CC(=O)NC7=[O]4)C4=[O][Cd]7(N8C(C(=O)O7)=CC(=O)NC8=O)([O]64)([OH2])([OH2])[OH2])([O]=C4N3C(=CC(=O)N4)C1=[O]2)([OH2])([OH2]5)[OH2])[OH2])([OH2])[OH2]
• Title of publication: Di-, tri-, tetranuclear clusters and polymeric cadmium compounds: Syntheses, structures and fluorescent properties with various linking fashions and high stability of orotates under the condition of strong bases
• Authors of publication: Li, Xing; Bing, Yue; Zha, Mei-Qin; Wang, Dong-Jie; Han, Lei; Cao, Rong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 8
• Pages of publication: 1963 - 1971
• a: 7.0318 ± 0.0002 Å
• b: 11.1243 ± 0.0002 Å
• c: 22.1885 ± 0.0006 Å
• α: 90°
• β: 94.215 ± 0.003°
• γ: 90°
• Cell volume: 1730.98 ± 0.08 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: 0.0272
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No