Information card for entry 4110817

Structure parameters

• Common name: Cp*Cr(B3H8)2
• Chemical name: Bis(octahydrotriborato)(pentamethylcyclopentadienyl)chromium(III)
• Formula: C10 H31 B6 Cr
• Calculated formula: C10 H31 B6 Cr
• SMILES: [Cr]12345678([BH]9%10([H]1)[H][BH2]1%10[BH]29([H]3)[H]1)([BH2]1([H]4)[BH2]2[H][BH2]12)[c]1([c]5([c]6([c]7([c]81C)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: 15.517 ± 0.003 Å
• b: 15.489 ± 0.003 Å
• c: 14.462 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3475.8 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No