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Information card for entry 4314765
Preview
| Coordinates | 4314765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H28 Cl4 Mn2 N4 O15 |
|---|---|
| Calculated formula | C38 H28 Cl4 Mn2 N4 O15 |
| Title of publication | Two Temperature-Independent Spinomers of the Dinuclear Mn(III) Compound [{Mn(H~2~O)(phen)}~2~(μ-2-ClC~6~H~4~COO)~2~(μ-O)](ClO~4~)~2~ |
| Authors of publication | Verónica Gómez; Montserrat Corbella; Gabriel Aullón |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1471 - 1480 |
| a | 17.6317 ± 0.0008 Å |
| b | 20.8001 ± 0.0008 Å |
| c | 22.7553 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8345.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1015 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4314765.cif |
| 179227 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/47. |
4314765.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314765.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314765.cif |
| 7908 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314765 via cif-deposit CGI script. |
4314765.cif |
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Users of the data should acknowledge the original authors of the
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