Information card for entry 7105930

Structure parameters

• Formula: C28 H48 Ni O2 P2
• Calculated formula: C28 H48 Ni O2 P2
• SMILES: [Ni]12([P](C(C)(C)C)(C(C)(C)C)Cc3cccc(c23)C[P]1(C(C)(C)C)C(C)(C)C)OC(=O)CC=C
• Title of publication: Exploring the Reactions of CO2 with PCP Supported Nickel Complexes
• Authors of publication: Timothy Schmeier; Nilay Hazari; Christopher Incarvito; Jevgenij Raskatov
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1824
• a: 10.4907 ± 0.001 Å
• b: 13.7587 ± 0.0013 Å
• c: 20.313 ± 0.002 Å
• α: 90°
• β: 99.178 ± 0.007°
• γ: 90°
• Cell volume: 2894.4 ± 0.5 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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 significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No