Information card for entry 1563190

Structure parameters

• Formula: C70 H68 Cd3 N14 O21
• Calculated formula: C70 H42 Cd3 N14 O21
• SMILES: [Cd]123(OC(=O)C4=CC5=[O][Cd]67([O]=C8N7C(=O)C=C7C(=O)O[Cd]9%10(N87)([n]7cccc8c7c7c(cc8)ccc[n]97)[n]7cccc8c7c7c(cc8)ccc[n]%107)(N5C(=O)N34)[n]3cccc4c3c3c(cc4)ccc[n]63)([n]3cccc4c3c3c(cc4)ccc[n]13)[n]1cccc3c1c1c(cc3)ccc[n]21.O.O.O.O.O.O.O.O.O.O.O.O.O
• 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: 15.448 ± 0.003 Å
• b: 15.639 ± 0.003 Å
• c: 16.641 ± 0.003 Å
• α: 64.025 ± 0.002°
• β: 85.352 ± 0.002°
• γ: 79.399 ± 0.002°
• Cell volume: 3552.5 ± 1.2 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: 0.1236
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No