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Information card for entry 4111675
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| Coordinates | 4111675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ((Co(tmphen)2)3(Fe(CN)6)2).7H2O |
|---|---|
| Chemical name | ((Co(tmphen)2)3(Fe(CN)6)2).7H2O |
| Formula | C108 H110 Co3 Fe2 N24 O7 |
| Calculated formula | C108 H96 Co3 Fe2 N24 O7 |
| Title of publication | A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster |
| Authors of publication | Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 6766 - 6779 |
| a | 19.09 ± 0.019 Å |
| b | 25.21 ± 0.03 Å |
| c | 24.69 ± 0.02 Å |
| α | 90° |
| β | 97.67 ± 0.04° |
| γ | 90° |
| Cell volume | 11776 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1344 |
| Residual factor for significantly intense reflections | 0.0954 |
| Weighted residual factors for significantly intense reflections | 0.2664 |
| Weighted residual factors for all reflections included in the refinement | 0.2941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178887 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/16. |
4111675.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4111675.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111675.cif |
| 63279 | 2012-07-26 | cif/ Adding structures of 4111675 via cif-deposit CGI script. |
4111675.cif |
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Users of the data should acknowledge the original authors of the
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