Information card for entry 4310275

Structure parameters

• Formula: C4.5 H3 Cd0.25 N0.5 O1.75 S0.25
• Calculated formula: C4.5 H3 Cd0.25 N0.5 O1.75 S0.25
• Title of publication: Synthesis, Characterization, and Crystal Structures of Three New Divalent Metal Carboxylate-Sulfonates with a Layered and One-Dimensional Structure
• Authors of publication: Zhong-Ming Sun; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 336 - 341
• a: 7.7975 ± 0.0004 Å
• b: 9.0264 ± 0.0004 Å
• c: 13.0844 ± 0.0002 Å
• α: 74.765 ± 0.002°
• β: 87.993 ± 0.003°
• γ: 74.033 ± 0.003°
• Cell volume: 853.59 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No