Information card for entry 7703811

Structure parameters

• Formula: C65 H100 N4 Ni2 P2
• Calculated formula: C60 H88 N4 Ni2 P2
• 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: 16.1669 ± 0.0009 Å
• b: 15.0455 ± 0.0008 Å
• c: 26.4547 ± 0.0015 Å
• α: 90°
• β: 99.286 ± 0.0007°
• γ: 90°
• Cell volume: 6350.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No