Information card for entry 7703812

Structure parameters

• Formula: C32 H51 N2 Ni P
• Calculated formula: C32 H51 N2 Ni P
• Title of publication: Synthetic investigations of low-coordinate (N-phosphino-amidinate) nickel chemistry: agostic alkyl complexes and benzene insertion into Ni-H.
• Authors of publication: Macaulay, Casper M.; Samolia, Madhu; Ferguson, Michael J.; Sydora, Orson L.; Ess, Daniel H.; Stradiotto, Mark; Turculet, Laura
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4811 - 4816
• a: 17.7217 ± 0.0003 Å
• b: 10.9584 ± 0.0002 Å
• c: 16.7015 ± 0.0003 Å
• α: 90°
• β: 103.483 ± 0.0009°
• γ: 90°
• Cell volume: 3154.06 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No