Information card for entry 4310134

Structure parameters

• Formula: C41 H43 B Ni P3
• Calculated formula: C41 H43 B Ni P3
• SMILES: [Ni]123([P](CC(C)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[H][BH2][H]3
• Title of publication: [(Triphos)Ni(η2-BH4)]: An Unusual Nickel(I) Borohydride Complex
• Authors of publication: Mathivathani Kandiah; G. Sean McGrady; Andreas Decken; Peter Sirsch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8650 - 8652
• a: 20.475 ± 0.002 Å
• b: 10.3065 ± 0.0011 Å
• c: 16.9806 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3583.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No