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Information card for entry 7011330
Preview
| Coordinates | 7011330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H45 Co Fe N11 Na O9 |
|---|---|
| Calculated formula | C17 H27 Co Fe N11 Na O9 |
| SMILES | C1[NH]2CC[NH]3CCC[NH]4CC[NH]5CC1(C)[NH2][Co]2345[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[Na+].O.O.O.O.O.O |
| Title of publication | The influence of cis/trans isomerism on the physical properties of a cyano-bridged dinuclear mixed valence complex |
| Authors of publication | Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 7 |
| Pages of publication | 1435 - 1441 |
| a | 14.758 ± 0.003 Å |
| b | 10.496 ± 0.001 Å |
| c | 19.359 ± 0.003 Å |
| α | 90° |
| β | 92 ± 0.02° |
| γ | 90° |
| Cell volume | 2996.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1114 |
| Residual factor for significantly intense reflections | 0.0745 |
| Weighted residual factors for significantly intense reflections | 0.2016 |
| Weighted residual factors for all reflections included in the refinement | 0.2193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011330.cif |
| 179817 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/13. |
7011330.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011330.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011330.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011330.cif |
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Users of the data should acknowledge the original authors of the
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