Information card for entry 7105928

Structure parameters

• Formula: C27 H48 Ni P2
• Calculated formula: C27 H48 Ni 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)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: 12.72 ± 0.003 Å
• b: 16.404 ± 0.003 Å
• c: 16.487 ± 0.003 Å
• α: 118.51 ± 0.008°
• β: 109.283 ± 0.008°
• γ: 91.067 ± 0.006°
• Cell volume: 2788.2 ± 1 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No