Information card for entry 4311381

Structure parameters

• Formula: C50 H50 B N Ni P3
• Calculated formula: C50 H50 B N Ni P3
• SMILES: [Ni]12([P](C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C
• Title of publication: The Coordination Chemistry of "[BP3]NiX" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages
• Authors of publication: Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4645 - 4662
• a: 12.3572 ± 0.001 Å
• b: 13.6104 ± 0.0011 Å
• c: 15.1576 ± 0.0012 Å
• α: 75.775 ± 0.001°
• β: 70.824 ± 0.001°
• γ: 66.409 ± 0.001°
• Cell volume: 2187.3 ± 0.3 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.544
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No