Information card for entry 4109198

Structure parameters

• Formula: C36 H38 Br6 O4 P2 Re6 S6
• Calculated formula: C36 H30 Br6 O4 P2 Re6 S6
• SMILES: [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Re]1234567[S]8[Re]9%10%11%12%132(Br)[Br]1[Re]12%14%157%13([S]7[Re]%13%16%17%11%14([P](c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11)([S]91)[S]%10[Re]1968%12%17([S]3[Re]5%157%169([S]42)(Br)[Br]%131)Br)Br.O.O.O.O
• Title of publication: Cluster Core Controlled Reactions of Substitution of Terminal Bromide Ligands by Triphenylphosphine in Octahedral Rhenium Chalcobromide Complexes
• Authors of publication: Michael A. Shestopalov; Yuri V. Mironov; Konstantin A. Brylev; Svetlana G. Kozlova; Vladimir E. Fedorov; Hartmut Spies; Hans-Jürgen Pietzsch; Holger Stephan; Gerhard Geipel; Gerd Bernhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3714 - 3721
• a: 10.2225 ± 0.0006 Å
• b: 11.5987 ± 0.0007 Å
• c: 12.5588 ± 0.0006 Å
• α: 83.651 ± 0.002°
• β: 74.953 ± 0.002°
• γ: 75.664 ± 0.002°
• Cell volume: 1391.53 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No