Information card for entry 4322326

Structure parameters

• Formula: C18 H42 F12 N6 O6 Re6 Sb2 Se8
• Calculated formula: C18 H42 F12 N6 O6 Re6 Sb2 Se8
• SMILES: N(C=[O][Re]1234567[Se]8[Re]9%10%11%12%134([O]=CN(C)C)[Re]4%14%15%163([Se]1[Re]13%17%1824([O]=CN(C)C)[Se]2[Re]4%10%151([O]=CN(C)C)([Se]9%14)([Re]58%1132([O]=CN(C)C)([Se]7%18)[Se]%134)[Se]%16%17)([O]=CN(C)C)[Se]6%12)(C)C.[F-][Sb](F)(F)(F)(F)F.[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: 12.55 ± 0.002 Å
• b: 12.55 ± 0.002 Å
• c: 27.039 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3688.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.0818
• Goodness-of-fit parameter for all reflections: 0.569
• Goodness-of-fit parameter for significantly intense reflections: 0.618
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No