Information card for entry 1517030

Structure parameters

• Common name: (PNP)NinPr
• Formula: C29 H47 N Ni P2
• Calculated formula: C29 H47 N Ni P2
• SMILES: [Ni]12([P](c3c(N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)ccc(c3)C)(C(C)C)C(C)C)CCC
• Title of publication: Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide
• Authors of publication: Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 3853
• a: 15.7352 ± 0.0006 Å
• b: 9.8832 ± 0.0004 Å
• c: 18.2622 ± 0.0007 Å
• α: 90°
• β: 94.249 ± 0.002°
• γ: 90°
• Cell volume: 2832.22 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No