Information card for entry 4504309

Structure parameters

• Formula: C42 H52 Cd3 N6 O22 P2 S2
• Calculated formula: C42 H32 Cd3 N6 O22 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: 20.4331 ± 0.0001 Å
• b: 11.7979 ± 0.0002 Å
• c: 23.9485 ± 0.0003 Å
• α: 90°
• β: 112.723 ± 0.001°
• γ: 90°
• Cell volume: 5325.11 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No