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Information card for entry 1517031
Preview
Coordinates | 1517031.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (PNP)NiCOiPr |
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Formula | C30 H47 N Ni O P2 |
Calculated formula | C30 H47 N Ni O P2 |
SMILES | [Ni]12([P](c3c(N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)ccc(c3)C)(C(C)C)C(C)C)C(=O)C(C)C |
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 | 15.5099 ± 0.0005 Å |
b | 9.9868 ± 0.0003 Å |
c | 18.6693 ± 0.0005 Å |
α | 90° |
β | 95.552 ± 0.001° |
γ | 90° |
Cell volume | 2878.2 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0487 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0956 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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