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Information card for entry 4341332
Preview
| Coordinates | 4341332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H64 Co2 D4 N2 O13 |
|---|---|
| Calculated formula | C40 H64 Co2 D4 N2 O13 |
| Title of publication | Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes. |
| Authors of publication | Overgaard, Jacob; Walsh, James P. S.; Hathwar, Venkatesha R.; Jørgensen, Mads R V; Hoffman, Christina; Platts, Jamie A.; Piltz, Ross; Winpenny, Richard E. P. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 11531 - 11539 |
| a | 24.68792 ± 0.00011 Å |
| b | 19.45652 ± 0.0001 Å |
| c | 9.75336 ± 0.00004 Å |
| α | 90° |
| β | 96.6302 ± 0.0004° |
| γ | 90° |
| Cell volume | 4653.61 ± 0.04 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1367 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation type | neutrons |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341332.cif |
| 179516 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/13. |
4341332.cif |
| 126960 | 2014-11-12 | cif/ Updating files of 4341331, 4341332, 4341333, 4341334 Original log message: Adding full bibliography for 4341331--4341334.cif. |
4341332.cif |
| 125597 | 2014-10-21 | cif/ Adding structures of 4341332 via cif-deposit CGI script. |
4341332.cif |
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Users of the data should acknowledge the original authors of the
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