Information card for entry 4322330

Structure parameters

• Formula: C38 H70 F12 N2 O P4 Re6 Sb2 Se8
• Calculated formula: C52 H92 F12 N4 O2 P4 Re6 Sb2 Se8
• SMILES: O1CCCC1.[F-][Sb](F)(F)(F)(F)F.[P](CC)(CC)(CC)[Re]1234567[Re]89%10%11%12%13([P](CC)(CC)CC)[Se]1[Re]1%14%15%164%10([Se]3[Re]34%10%176%14([P](CC)(CC)CC)[Re]6%1491([P](CC)(CC)CC)([Re]5%113([Se]28)([n]1ccc(cc1)c1ccncc1)([Se]74)([Se]%106)[Se]%13%14)([Se]%12%15)[Se]%16%17)[n]1ccc(cc1)c1ccncc1.O1CCCC1.[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: 10.6065 ± 0.0002 Å
• b: 13.1141 ± 0.0003 Å
• c: 16.7533 ± 0.0004 Å
• α: 111.83°
• β: 104.684 ± 0.001°
• γ: 94.803 ± 0.001°
• Cell volume: 2051.02 ± 0.08 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections: 0.1789
• Weighted residual factors for significantly intense reflections: 0.1721
• Goodness-of-fit parameter for all reflections: 0.938
• Goodness-of-fit parameter for significantly intense reflections: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No