Information card for entry 4318964

Structure parameters

• Common name: 2, Cd-Fused Square
• Formula: C287 H400 Cd Cl38 F24 N10 O27 P8 Re12 Sb4 Se16
• Calculated formula: C184 H152 Cd F24 N10 O6 P8 Re12 Sb4 Se16
• Title of publication: Novel Concentration-Driven Structural Interconversion in Shape-Specific Solids Supported by the Octahedral [Re6(μ3-Se)8]2+ Cluster Core
• Authors of publication: Hugh D. Selby; Peter Orto; Michael D. Carducci; Zhiping Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6175 - 6177
• a: 36.949 ± 0.002 Å
• b: 19.4415 ± 0.0013 Å
• c: 42.134 ± 0.003 Å
• α: 90°
• β: 102.624 ± 0.001°
• γ: 90°
• Cell volume: 29535 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 11
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No