Information card for entry 4322324

Structure parameters

• Formula: C28 H66 F12 N2 P4 Re6 Sb2 Se8
• Calculated formula: C28 H60 F12 N2 P4 Re6 Sb2 Se8
• SMILES: C(C)[P](CC)(CC)[Re]1234567[Re]89%10%11%12%13([P](CC)(CC)CC)[Se]2[Re]2%14%15%165%10([Se]1[Re]15%10%173%14([P](CC)(CC)CC)[Re]3%1482([P](CC)(CC)CC)([Re]491([N]#CC)([Se]%113)([Se]5%14)([Se]6%10)[Se]7%13)([Se]%12%15)[Se]%16%17)[N]#CC.[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: 12.826 ± 0.003 Å
• b: 17.121 ± 0.003 Å
• c: 13.23 ± 0.003 Å
• α: 90°
• β: 104.66 ± 0.03°
• γ: 90°
• Cell volume: 2810.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections: 0.1985
• Weighted residual factors for significantly intense reflections: 0.1845
• Goodness-of-fit parameter for all reflections: 1.091
• Goodness-of-fit parameter for significantly intense reflections: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No