Information card for entry 4322332

Structure parameters

• Formula: C72 H160 F24 N2 P10 Re12 Sb4 Se16
• Calculated formula: C120 H204 F24 N2 P10 Re12 Sb4 Se16
• SMILES: c1cc(cc[n]1[Re]1234567[Re]89%10%11%12%13([Re]%14%15%16%171([P](CC)(CC)CC)([Se]2[Re]12%18%195%16([P](CC)(CC)CC)[Re]5%16%11%15([Se]%10%14)([P](CC)(CC)CC)([Re]6%121([Se]49)([P](CC)(CC)CC)([Se]25)([Se]7%18)[Se]%13%16)[Se]%17%19)[Se]38)[P](CC)(CC)CC)/C=C/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%21%22%231([P](CC)(CC)CC)([Re]28%14([P](CC)(CC)CC)([Se]5%12)([Se]6%20)([Se]%17%22)[Se]%13%19)[Re]39%15([P](CC)(CC)CC)([Se]%10%16)([Se]4%11)([Se]7%21)[Se]%18%23.F[Sb](F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 12.8813 ± 0.0004 Å
• b: 15.5023 ± 0.0005 Å
• c: 24.4935 ± 0.0006 Å
• α: 73.717 ± 0.001°
• β: 78.074 ± 0.001°
• γ: 68.94 ± 0.001°
• Cell volume: 4350.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.1216
• Goodness-of-fit parameter for all reflections: 0.901
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No