Information card for entry 4311379

Structure parameters

• Formula: C41 H63 B N Ni P3
• Calculated formula: C41 H63 B N Ni P3
• SMILES: [Ni]1([P](C[B](c2ccccc2)(C[P]1(C(C)C)C(C)C)CP(C(C)C)C(C)C)(C(C)C)C(C)C)N1C2c3ccccc3C1c1c2cccc1
• 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: 12.0312 ± 0.001 Å
• b: 26.359 ± 0.002 Å
• c: 12.9206 ± 0.0011 Å
• α: 90°
• β: 99.15 ± 0.002°
• γ: 90°
• Cell volume: 4045.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.094
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No