Information card for entry 4329735

Structure parameters

• Formula: C38 H82 B Cl2 F4 N4 P5 Re6 Se8
• Calculated formula: C37 H80 B F4 N4 P5 Re6 Se8
• Title of publication: Preparation of a Family of Hexanuclear Rhenium Cluster Complexes Containing 5-(Phenyl)tetrazol-2-yl Ligands and Alkylation of 5-Substituted Tetrazolate Ligands
• Authors of publication: Jessica L. Durham; Joan N. Tirado; Stanley A. Knott; Meghan K. Oh; Robert McDonald; Lisa F. Szczepura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7825 - 7836
• a: 11.8298 ± 0.0007 Å
• b: 15.2084 ± 0.0008 Å
• c: 18.4824 ± 0.001 Å
• α: 88.1099 ± 0.001°
• β: 81.9099 ± 0.0009°
• γ: 81.7606 ± 0.001°
• Cell volume: 3257.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No