Information card for entry 4307638

Structure parameters

• Common name: Cr(B3H8)2(thf)2
• Formula: C8 H32 B6 Cr O2
• Calculated formula: C8 H32 B6 Cr O2
• SMILES: [BH]123[BH]4([BH2]1([H]2)[H]4)[H][Cr]1([O]2CCCC2)([O]2CCCC2)([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: 9.2238 ± 0.0016 Å
• b: 8.7248 ± 0.0015 Å
• c: 11.0292 ± 0.0019 Å
• α: 90°
• β: 102.597 ± 0.003°
• γ: 90°
• Cell volume: 866.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No