Information card for entry 4321598

Structure parameters

• Formula: C52 H46.5 Cl9.5 N2 O0.5 P2 Re3
• Calculated formula: C52 H46.5 Cl9.5 N2 O0.5 P2 Re3
• Title of publication: Structural and Functional Characteristics of Rhenium Clusters Derived from Redox Chemistry of the Triangular [ReIII3(μ-Cl)3] Core Unit
• Authors of publication: Daniel Neuman; Patrina Paraskevopoulou; Nikos Psaroudakis; Konstantinos Mertis; Richard J. Staples; Pericles Stavropoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5530 - 5537
• a: 10.1074 ± 0.0002 Å
• b: 23.2153 ± 0.0001 Å
• c: 23.3849 ± 0.0005 Å
• α: 90°
• β: 90.719 ± 0.001°
• γ: 90°
• Cell volume: 5486.75 ± 0.16 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No