Information card for entry 4301617

Structure parameters

• Chemical name: Potassium octakis(mu3-sulfido)-hexaformato-hexa-rhenium(III)
• Formula: C6 H6 K4 O12 Re6 S8
• Calculated formula: C6 H6 K4 O12 Re6 S8
• SMILES: C(=O)O[Re]1234567[S]8[Re]9%10%11%12%135([S]2[Re]25%14%1539([S]1[Re]139%167%15([S]2[Re]27%13%14%16([S]%105)([S]1[Re]68%1297([S]%112)([S]43)OC=O)OC=O)OC=O)OC=O)OC=O.[K+].[K+].[K+].[K+]
• Title of publication: The First Octahedral Cluster Complexes With Terminal Formate Ligands: Synthesis, Structure, and Properties of K4[Re6S8(HCOO)6] and Cs4[Re6S8(HCOO)6]
• Authors of publication: Konstantin A. Brylev; Yuri V. Mironov; Svetlana G. Kozlova; Vladimir E. Fedorov; Sung-Jin Kim; Hans-Jürgen Pietzsch; Holger Stephan; Akitaka Ito; Shoji Ishizaka; Noboru Kitamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2309 - 2315
• a: 17.6324 ± 0.0003 Å
• b: 17.6324 ± 0.0003 Å
• c: 17.6324 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5481.94 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.732
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No