Information card for entry 4322327

Structure parameters

• Formula: C16 H48 F12 O8 Re6 S8 Sb2 Se8
• Calculated formula: C16 H48 F12 O8 Re6 S8 Sb2 Se8
• SMILES: CS(=[O][Re]1234567[Re]89%10%11%12%13([O]=S(C)C)[Se]1[Re]1%14%15%163%10([O]=S(C)C)[Re]3%10%17%189([O]=S(C)C)([Re]9%194%11([Se]28)([O]=S(C)C)([Re]513([O]=S(C)C)([Se]6%14)([Se]%179)([Se]%15%18)[Se]7%19)[Se]%12%10)[Se]%13%16)C.CS(C)=O.[F-][Sb](F)(F)(F)(F)F.CS(C)=O.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+
• Authors of publication: Zhiping Zheng; Thomas G. Gray; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4888 - 4895
• a: 9.337 ± 0.002 Å
• b: 11.578 ± 0.002 Å
• c: 13.498 ± 0.003 Å
• α: 100.36 ± 0.03°
• β: 94.52 ± 0.03°
• γ: 95.38 ± 0.03°
• Cell volume: 1422.2 ± 0.5 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: 0.0847
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.1175
• Goodness-of-fit parameter for all reflections: 0.879
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No