Information card for entry 4322331

Structure parameters

• Formula: C70 H158 F24 N2 P10 Re12 Sb4 Se16
• Calculated formula: C70 H158 F24 N2 P10 Re12 Sb4 Se16
• SMILES: [n]1(ccc(cc1)c1cc[n](cc1)[Re]1234567[Re]89%10%11%12%13([P](CC)(CC)CC)[Re]%14%15%16%17%18%19([P](CC)(CC)CC)[Re]%20%2118([P](CC)(CC)CC)([Re]182%14([P](CC)(CC)CC)([Re]39%15([P](CC)(CC)CC)([Se]51)([Se]%178)([Se]%12%18)[Se]7%13)([Se]6%20)[Se]%19%21)([Se]%10%16)[Se]4%11)[Re]1234567[Re]89%10%11%12%13([P](CC)(CC)CC)[Re]%14%15%16%17%18%19([P](CC)(CC)CC)[Re]%20%2118([P](CC)(CC)CC)([Re]182%14([P](CC)(CC)CC)([Re]39%15([P](CC)(CC)CC)([Se]51)([Se]%178)([Se]%12%18)[Se]7%13)([Se]6%20)[Se]%19%21)([Se]%10%16)[Se]4%11.[F-][Sb](F)(F)(F)(F)F.F[Sb]([F-])(F)(F)(F)F.[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: 12.6564 ± 0.0001 Å
• b: 22.9957 ± 0.0001 Å
• c: 23.5374 ± 0.0004 Å
• α: 90°
• β: 103.036 ± 0.001°
• γ: 90°
• Cell volume: 6673.85 ± 0.13 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.1101
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No