Information card for entry 4115691

Structure parameters

• Formula: C20 H34 B6 Cl2 Re2
• Calculated formula: C20 H34 B6 Cl2 Re2
• SMILES: [Re]123456789%10([Re]%11%12%13%14%15%16%17%18%19([B]%201(Cl)[B]2%11(Cl)[BH]3%12[BH]4%13[BH]5%14[BH]6%15%20)[c]1([c]%16([c]%17([c]%18([c]%191C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C
• Title of publication: Synthesis and Characterization of Bicapped Hexagonal Bipyramidal 2,3-Cl2-1,8-{Cp*Re}2B6H4[{Cp*Re}2{μ-η6:η6-1,2-B6H4Cl2}, Cp* = η5-C5Me5]: The Missing Link Connecting (p - 2) Skeletal Electron Pair Hypoelectronic Rhenaboranes and 24-Valence Electron Triple-Decker Complexes
• Authors of publication: Sundargopal Ghosh; Alicia M. Beatty; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 9188 - 9189
• a: 10.5106 ± 0.001 Å
• b: 14.3786 ± 0.0013 Å
• c: 16.7764 ± 0.0016 Å
• α: 89.965 ± 0.002°
• β: 89.905 ± 0.002°
• γ: 85.253 ± 0.002°
• Cell volume: 2526.7 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No