Information card for entry 4504307

Structure parameters

• Formula: C84 H88 Cd4 Cl2 N12 O28 P2 S2
• Calculated formula: C84 H56 Cd4 Cl2 N12 O28 P2 S2
• Title of publication: Novel Cadmium(II) Phosphonatophenylsulfonate Cluster Compounds: Syntheses, Structures, and Luminescent Properties
• Authors of publication: Du, Zi-Yi; Li, Xiu-Ling; Liu, Qing-Yan; Mao, Jiang-Gao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1501
• a: 11.6702 ± 0.0006 Å
• b: 13.916 ± 0.0007 Å
• c: 16.0247 ± 0.0008 Å
• α: 69.041 ± 0.001°
• β: 69.716 ± 0.001°
• γ: 84.264 ± 0.001°
• Cell volume: 2278.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No