Information card for entry 4112320

Structure parameters

• Formula: C20 H30 B5 Cl5 Re2
• Calculated formula: C20 H30 B5 Cl5 Re2
• SMILES: [Re]123456789([Re]%10%11%12%13%14%15%16%17([B]1(Cl)[B]2%10(Cl)[B]3%11(Cl)[B]4%12([B]5%13Cl)Cl)[c]1([c]%17([c]%16([c]%15([c]%141C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C
• 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: 9.7529 ± 0.0005 Å
• b: 14.7661 ± 0.0007 Å
• c: 18.531 ± 0.0009 Å
• α: 90°
• β: 90.432 ± 0.001°
• γ: 90°
• Cell volume: 2668.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No