Information card for entry 4307637

Structure parameters

• Common name: Cr(B3H8)2(Et2O)2
• Formula: C8 H36 B6 Cr O2
• Calculated formula: C8 H36 B6 Cr O2
• SMILES: [BH]123[BH]4([BH2]1([H]2)[H]4)[H][Cr]1([O](CC)CC)([O](CC)CC)([H]3)[H][BH]23[BH]4([BH2]2([H]3)[H]4)[H]1
• Title of publication: Synthesis and Characterization of the Homoleptic Octahydrotriborate Complex Cr(B3H8)2 and Its Lewis Base Adducts
• Authors of publication: Dean M. Goedde; G. Kenneth Windler; Gregory S. Girolami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2814 - 2823
• a: 7.0764 ± 0.0017 Å
• b: 16.985 ± 0.004 Å
• c: 7.985 ± 0.002 Å
• α: 90°
• β: 110.589 ± 0.004°
• γ: 90°
• Cell volume: 898.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No