Information card for entry 4116493

Structure parameters

• Chemical name: (Me5CpRe)2[Co2(CO)5]B4H4
• Formula: C25 H34 B4 Co2 O5 Re2
• Calculated formula: C25 H34 B4 Co2 O5 Re2
• SMILES: [Re]123456789%10([Re]%11%12%13%14%15%16%17%18%19([Co]%20%211([Co]2%11([BH]6%15[BH]5%14[BH]4%13[BH]3%12%20)(C%21=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C
• Title of publication: A Novel Coordinated Inorganic Benzene: Synthesis and Characterization of {η5-C5Me5Re}2{μ-η6:η6-B4H4Co2(CO)5}
• Authors of publication: Sundargopal Ghosh; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7451 - 7452
• a: 23.282 ± 0.002 Å
• b: 16.787 ± 0.002 Å
• c: 15.0481 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5881.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No