Information card for entry 4109203

Structure parameters

• Formula: C36 H30 Br6 P2 Re6 S6
• Calculated formula: C36 H30 Br6 P2 Re6 S6
• SMILES: [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Re]1234567[S]8[Re]9%10%11%12%135([S]1[Re]15%14%1549([S]2[Re]249%1665([S]3[Re]3578%129([P](c6ccccc6)(c6ccccc6)c6ccccc6)[S]%10[Re]%13%15%165([Br]12)([S]43)(Br)[Br]%11%14)Br)Br)Br
• 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: 10.302 ± 0.002 Å
• b: 20.292 ± 0.004 Å
• c: 12.108 ± 0.002 Å
• α: 90°
• β: 105.38 ± 0.03°
• γ: 90°
• Cell volume: 2440.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.2121
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No