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Information card for entry 4109726
Preview
| Coordinates | 4109726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H48 Ni P4 |
|---|---|
| Calculated formula | C52 H48 Ni P4 |
| Title of publication | Methyl Transfer from Methylcobaloxime to (Triphos)Ni(PPh3): Relevance to the Mechanism of Acetyl Coenzyme A Synthase |
| Authors of publication | Nathan A. Eckert; William G. Dougherty; Glenn P. A. Yap; Charles G. Riordan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 9286 - 9287 |
| a | 10.4849 ± 0.0018 Å |
| b | 11.872 ± 0.002 Å |
| c | 18.977 ± 0.004 Å |
| α | 89.715 ± 0.014° |
| β | 80.764 ± 0.012° |
| γ | 67.58 ± 0.016° |
| Cell volume | 2151.2 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109726.cif |
| 178843 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97. |
4109726.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109726.cif |
| 58504 | 2012-05-29 | cif/ Adding structures of 4109726 via cif-deposit CGI script. |
4109726.cif |
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Users of the data should acknowledge the original authors of the
structural data.