Information card for entry 4110819

Structure parameters

• Common name: Cp*2Mo2B5H9
• Chemical name: (Nonahydropentaborato)bis(pentamethylcyclorpentadienyl)dimolybdenum
• Formula: C20 H39 B5 Mo2
• Calculated formula: C20 H39 B5 Mo2
• SMILES: [Mo]123456789([Mo]%10%11%12%13%14%15%17%18([H][BH]([H]2)[BH]3%13[BH]4%14[BH]1%15[BH]([H]7)[H]%17)[c]1([c]%18([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]8([c]9([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis and Characterization of the Octahydrotriborate Complexes Cp*V(B3H8)2 and Cp*Cr(B3H8)2 and the Unusual Cobaltaborane Cluster Cp*2Co2(B6H14)
• Authors of publication: Do Young Kim; Gregory S. Girolami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 10969 - 10977
• a: 8.998 ± 0.002 Å
• b: 11.701 ± 0.003 Å
• c: 11.971 ± 0.003 Å
• α: 109.562 ± 0.004°
• β: 91.892 ± 0.004°
• γ: 92.495 ± 0.004°
• Cell volume: 1185 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No