Information card for entry 4318321

Structure parameters

• Formula: C26 H60 N2 P4 Re6 Se8
• Calculated formula: C38 H72 N2 P4 Re6 Se8
• SMILES: C(C)[P](CC)(CC)[Re]1234567[Se]8[Re]9%10%11%12%132([P](CC)(CC)CC)[Re]2%14%15%16%17%18([P](CC)(CC)CC)[Re]%19%20%21%223([Se]1[Re]4892%19(C#N)([Se]%16%21)[Se]%12%17)([P](CC)(CC)CC)[Re]5%10%14(C#N)([Se]%15%20)([Se]6%11)([Se]7%22)[Se]%13%18.c1ccccc1.c1ccccc1
• Title of publication: Site-Differentiated Hexanuclear Rhenium(III) Cyanide Clusters [Re6Se8(PEt3)n(CN)6-n]n-4 (n= 4, 5) and Kinetics of Solvate Ligand Exchange on the Cubic [Re6Se8]2+ Core
• Authors of publication: Thomas G. Gray; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4211 - 4216
• a: 10.5369 ± 0.0009 Å
• b: 11.6919 ± 0.001 Å
• c: 12.8561 ± 0.0011 Å
• α: 71.208 ± 0.002°
• β: 82.033 ± 0.002°
• γ: 70.62 ± 0.002°
• Cell volume: 1413.5 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No