Information card for entry 4102647

Structure parameters

• Formula: C23 H40 Ni O4 P2
• Calculated formula: C23 H40 Ni O4 P2
• SMILES: [Ni]12([P](Oc3c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(C)(C)C)OC=O
• Title of publication: An Efficient Nickel Catalyst for the Reduction of Carbon Dioxide with a Borane
• Authors of publication: Sumit Chakraborty; Jie Zhang; Jeanette A. Krause; Hairong Guan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8872 - 8873
• a: 8.3696 ± 0.0002 Å
• b: 11.8615 ± 0.0003 Å
• c: 13.5708 ± 0.0003 Å
• α: 100.375 ± 0.001°
• β: 97.124 ± 0.001°
• γ: 104.482 ± 0.001°
• Cell volume: 1262.74 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No