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Information card for entry 4071191
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Coordinates | 4071191.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)-3- methylbutanamidato-k2N,O](n1-CH2Ph)(PMe3)nickel. |
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Formula | C39 H57 N2 Ni O P |
Calculated formula | C39 H57 N2 Ni O P |
SMILES | C1(C(C(C)C)=[N]([Ni](Cc2ccccc2)(O1)[P](C)(C)C)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C |
Title of publication | Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes |
Authors of publication | Azoulay, Jason D.; Itigaki, Koji; Wu, Guang; Bazan, Guillermo C. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 10 |
Pages of publication | 2273 |
a | 9.716 ± 0.003 Å |
b | 20.04 ± 0.007 Å |
c | 19.496 ± 0.006 Å |
α | 90° |
β | 100.578 ± 0.005° |
γ | 90° |
Cell volume | 3732 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.081 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4071191.html
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