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Information card for entry 4108471
Preview
Coordinates | 4108471.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H50 N2 Ni2 O3 P2 S2 |
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Calculated formula | C44 H42 N2 Ni2 O2 P2 S2 |
SMILES | [Ni]123N(c4c(N1C(=O)C[S]2Cc1ccccc1)cccc4)C(=O)C[S]3[Ni]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)C |
Title of publication | Binuclear Complexes Containing a Methylnickel Moiety: Relevance to Organonickel Intermediates in Acetyl Coenzyme A Synthase Catalysis |
Authors of publication | William G. Dougherty; Krishnan Rangan; Molly J. O'Hagan; Glenn P. A. Yap; Charles G. Riordan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13510 - 13511 |
a | 14.029 ± 0.003 Å |
b | 19.121 ± 0.002 Å |
c | 17.573 ± 0.002 Å |
α | 90° |
β | 107.046 ± 0.01° |
γ | 90° |
Cell volume | 4506.8 ± 1.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0458 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108471.html
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