Information card for entry 4311376

Structure parameters

• Formula: C55 H54 B Ni P3 S
• Calculated formula: C55 H54 B Ni P3 S
• SMILES: [Ni]12([P](C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccc(cc1)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: 38.222 ± 0.002 Å
• b: 38.222 ± 0.002 Å
• c: 12.5712 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18365.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No