Information card for entry 4311377

Structure parameters

• Formula: C51 H47 B Cl Ni O2 P3
• Calculated formula: C51 H47 B Cl Ni O2 P3
• SMILES: [Ni]12([P](C[B](c3ccccc3)(CP(=[O]1)(c1ccccc1)c1ccccc1)CP(=[O]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.c1ccccc1
• 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: 16.2376 ± 0.0012 Å
• b: 16.469 ± 0.0013 Å
• c: 17.7364 ± 0.0014 Å
• α: 90°
• β: 113.379 ± 0.001°
• γ: 90°
• Cell volume: 4353.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.601
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No