Information card for entry 4117226

Structure parameters

• Formula: C87.21 Cl3.29 F2.13 N2 O3.13 P4 Re2 S0.71
• Calculated formula: C89 H83 Cl5 F3 N2 O5 P4 Re2 S
• Title of publication: The First Example of Isomerization of a Dimetal Complex Involving the Switch of a Metal-Metal Bond Order from 3 to 0. Synthesis and Characterization of the Paramagnetic Mixed-Valence Complex Cation [(XylNC)(OC)Re(μ-Cl)2(μ-dppm)2ReCl(CNXyl)]+1
• Authors of publication: Wengan Wu; Phillip E. Fanwick; Richard A. Walton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 13091 - 13092
• a: 15.751 ± 0.007 Å
• b: 16.645 ± 0.007 Å
• c: 18.886 ± 0.009 Å
• α: 80.27 ± 0.04°
• β: 65.06 ± 0.04°
• γ: 83.72 ± 0.04°
• Cell volume: 4421 ± 4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.174
• Weighted residual factors for significantly intense reflections: 0.158
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No