Information card for entry 4310133

Structure parameters

• Formula: C41 H39 Cl2 Ni P3
• Calculated formula: C41 H39 Cl2 Ni P3
• SMILES: [Ni]1([P](CC(C)(C[P]1(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• 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: 25.685 ± 0.003 Å
• b: 13.8498 ± 0.0012 Å
• c: 22.0402 ± 0.0018 Å
• α: 90°
• β: 97.656 ± 0.003°
• γ: 90°
• Cell volume: 7770.5 ± 1.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No