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Information card for entry 7000397
Preview
| Coordinates | 7000397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C8 H18 N O P |
|---|---|
| Calculated formula | C8 H18 N O P |
| SMILES | P(NC(=O)C)(C(C)C)C(C)C |
| Title of publication | Synthesis and characterization of Co and Ni complexes stabilized by keto- and acetamide-derived P,O-type phosphine ligands |
| Authors of publication | Agostinho, Magno; Rosa, Vitor; Avilés, Teresa; Welter, Richard; Braunstein, Pierre |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 5 |
| Pages of publication | 814 - 822 |
| a | 15.586 ± 0.0005 Å |
| b | 7.879 ± 0.0004 Å |
| c | 9.142 ± 0.0012 Å |
| α | 90° |
| β | 105.741 ± 0.002° |
| γ | 90° |
| Cell volume | 1080.55 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1227 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7000397.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7000397.cif |
| 179681 | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03. |
7000397.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000397.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000397.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000397.cif |
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Users of the data should acknowledge the original authors of the
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