Information card for entry 4326962

Structure parameters

• Formula: C42 H57 B Ni P4 S
• Calculated formula: C42 H57 B Ni P4 S
• SMILES: [Ni]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)Sc1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds
• Authors of publication: Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11914 - 11928
• a: 12.0642 ± 0.0003 Å
• b: 10.0238 ± 0.0003 Å
• c: 33.6406 ± 0.0009 Å
• α: 90°
• β: 92.516 ± 0.001°
• γ: 90°
• Cell volume: 4064.21 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No