Information card for entry 1549178

Structure parameters

• Chemical name: {Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)
• Formula: C17 H41 B Co N O P2
• Calculated formula: C17 H41 B Co N O P2
• SMILES: [BH3][H][Co]12(C#[O])[NH](CC[P]1(C(C)C)C(C)C)CC[P]2(C(C)C)C(C)C
• Title of publication: {Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)
• Authors of publication: Junge, Kathrin; Cingolani, Andrea; Spannenberg, Anke; Beller, Matthias
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: x180471
• a: 8.0249 ± 0.0002 Å
• b: 27.32 ± 0.0008 Å
• c: 10.3546 ± 0.0003 Å
• α: 90°
• β: 97.101 ± 0.001°
• γ: 90°
• Cell volume: 2252.73 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes