Information card for entry 7110499

Structure parameters

• Chemical name: {(Cp*Rh)2}{Co3(CO)8}(BBH)(BCl)
• Formula: C28 H31 B3 Cl Co3 O8 Rh2
• Calculated formula: C28 H31 B3 Cl Co3 O8 Rh2
• SMILES: [Rh]12345678([Co]9%10%11%12%13([Rh]%14%15%16%17%18%19%20([Co]%21%22([Co]%2319([B]%10%14%21(Cl)[B]2%11%15%22%23[BH]3%12%16)([C]8%13=O)(C#[O])C#[O])(C#[O])(C#[O])C#[O])[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)(C#[O])C#[O])[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• Title of publication: Designer clusters: synthesis and characterization of Cp*2Rh2Co3(CO)8B3HCl (Cp* =η5-C5Me5)
• Authors of publication: Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 933
• a: 9.4979 ± 0.0015 Å
• b: 9.4931 ± 0.0013 Å
• c: 21.394 ± 0.003 Å
• α: 88.104 ± 0.01°
• β: 77.308 ± 0.014°
• γ: 62.825 ± 0.011°
• Cell volume: 1669.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.0821
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No