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Information card for entry 7031540
Preview
| Coordinates | 7031540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H22 Co N4 O10 |
|---|---|
| Calculated formula | C14 H22 Co N4 O10 |
| SMILES | c1c2CC[OH][Co]3([n]2ccc1)([n]1ccccc1CC[OH]3)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement. |
| Authors of publication | Mobin, Shaikh M.; Mohammad, Akbar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 34 |
| Pages of publication | 13032 |
| a | 7.7747 ± 0.0006 Å |
| b | 8.2003 ± 0.0005 Å |
| c | 8.8496 ± 0.0008 Å |
| α | 96.823 ± 0.006° |
| β | 113.416 ± 0.008° |
| γ | 109.189 ± 0.006° |
| Cell volume | 468.29 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0604 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180021 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15. |
7031540.cif |
| 121683 | 2014-08-08 | cif/ Updating files of 7031539, 7031540, 7031541, 7031542, 7031543 Original log message: Adding full bibliography for 7031539--7031543.cif. |
7031540.cif |
| 118928 | 2014-07-03 | cif/ Adding structures of 7031539, 7031540, 7031541, 7031542, 7031543 via cif-deposit CGI script. |
7031540.cif |
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Users of the data should acknowledge the original authors of the
structural data.