Information card for entry 4307639

Structure parameters

• Common name: Cr(B3H8)2(PMe3)2
• Formula: C6 H34 B6 Cr P2
• Calculated formula: C6 H34 B6 Cr P2
• SMILES: [Cr]([H][BH]12[H][BH2]13[BH2]2[H]3)([H][BH]12[H][BH2]23[BH2]1[H]3)([P](C)(C)C)[P](C)(C)C
• 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: 16.404 ± 0.003 Å
• b: 13.744 ± 0.003 Å
• c: 16.728 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3771.4 ± 1.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No