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Information card for entry 7009708
Preview
| Coordinates | 7009708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H47 Cl8 Co N6 O8 P |
|---|---|
| Calculated formula | C29 H47 Cl8 Co N6 O8 P |
| SMILES | [Co]123([n]4c(n(cc4C(C)C)C(C)C)P(c4n(cc([n]14)C(C)C)C(C)C)c1n(cc([n]21)C(C)C)C(C)C)OCl(=O)(=O)=[O]3.Cl(=O)(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Synthesis and molecular structures of a pair of tris(imidazolyl)phosphine cobalt–perchlorate complexes, {[PimPri2]Co(OClO3)}[ClO4] and {[PimPri2]Co(OH2)(HOMe)(OClO3)}[ClO4] |
| Authors of publication | Kimblin, Clare; Bridgewater, Brian M.; Churchill, David G.; Parkin, Gerard |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 13 |
| Pages of publication | 2191 |
| a | 15.3832 ± 0.0011 Å |
| b | 16.8991 ± 0.0012 Å |
| c | 17.8228 ± 0.0011 Å |
| α | 90° |
| β | 100.154 ± 0.001° |
| γ | 90° |
| Cell volume | 4560.7 ± 0.5 Å3 |
| Cell temperature | 238 ± 2 K |
| Ambient diffraction temperature | 238 ± 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 | 0.1049 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1819 |
| Weighted residual factors for all reflections included in the refinement | 0.2086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
7009708.cif |
| 179801 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/97. |
7009708.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009708.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009708.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009708.cif |
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