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Information card for entry 7002862
Preview
| Coordinates | 7002862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 Cr N3 O12 |
|---|---|
| Calculated formula | C6 H12 Cr N3 O12 |
| SMILES | C(N)=O=[Cr](OC=O)([O]=CN)([O]=CN)(OC=O)OC=O.O.O.O |
| Title of publication | Co(ii) and Cr(iii) complexes of formate‒formamide mixed ligands: synthesis, structures, single crystal-to-single crystal transformation and magnetic behaviour |
| Authors of publication | Sengupta, Oindrila; Song, You; Mukherjee, Partha Sarathi |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 46 |
| Pages of publication | 10343 - 10352 |
| a | 7.9412 ± 0.0001 Å |
| b | 7.9412 ± 0.0001 Å |
| c | 21.5191 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1175.24 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.2175 |
| Weighted residual factors for all reflections included in the refinement | 0.2226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179732 (current) | 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 7/00/28. |
7002862.cif |
| 171492 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with placeholder values from multiple entries. |
7002862.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002862.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002862.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002862.cif |
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Users of the data should acknowledge the original authors of the
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