Information card for entry 4112321

Structure parameters

• Formula: C20 H36 B7 Cl Re2
• Calculated formula: C20 H35 B7 Cl Re2
• Title of publication: Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms
• Authors of publication: Boris Le Guennic; Haijun Jiao; Samia Kahlal; Jean-Yves Saillard; Jean-François Halet; Sundargopal Ghosh; Maoyu Shang; Alicia M. Beatty; Arnold L. Rheingold; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3203 - 3217
• a: 9.3182 ± 0.0005 Å
• b: 11.6312 ± 0.0007 Å
• c: 23.1331 ± 0.0013 Å
• α: 90°
• β: 93.082 ± 0.001°
• γ: 90°
• Cell volume: 2503.6 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No