Information card for entry 4322328

Structure parameters

• Formula: C30 H30 F12 N6 Re6 Sb2 Se8
• Calculated formula: C30 H30 F12 N6 Re6 Sb2 Se8
• SMILES: [Re]123([Se]4[Re]56([Se]1[Re]17([Se]2[Re]28([Se]9[Re]([Se]5[Re]49([Se]23)[n]2ccccc2)([Se]16)([Se]78)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1.[Sb](F)(F)(F)([F-])(F)F.[Sb](F)(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: 13.9972 ± 0.0001 Å
• b: 19.7337 ± 0.0003 Å
• c: 39.9367 ± 0.0006 Å
• α: 90°
• β: 93.897 ± 0.001°
• γ: 90°
• Cell volume: 11005.7 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.1089
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No