Information card for entry 4321595

Structure parameters

• Formula: C27 H26 Cl8 N2 O P2 Re2
• Calculated formula: C52 H46 Cl8 N2 P2 Re2
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.Cl[Re](Cl)(Cl)(Cl)[Re](Cl)(Cl)(Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC#N
• 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: 10.2287 ± 0.0001 Å
• b: 11.4907 ± 0.0001 Å
• c: 12.7126 ± 0.0001 Å
• α: 84.034 ± 0.001°
• β: 71.295 ± 0.001°
• γ: 68.471 ± 0.001°
• Cell volume: 1316.36 ± 0.02 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No