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Information card for entry 7033380
Preview
| Coordinates | 7033380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H34 Mn N4 O10 |
|---|---|
| Calculated formula | C26 H34 Mn N4 O10 |
| SMILES | [Mn]123(ON(=O)=O)(ON(=[O]1)=O)([N](=C(c1ccccc1)C1([OH]2)CCCCC1)O)[N](=C(c1ccccc1)C1([OH]3)CCCCC1)O |
| Title of publication | Structural variations in metal complexes of a tertiary α-hydroxyoxime. |
| Authors of publication | D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7163 - 7168 |
| a | 10.6575 ± 0.0008 Å |
| b | 11.8208 ± 0.0009 Å |
| c | 12.1533 ± 0.0009 Å |
| α | 81.878 ± 0.006° |
| β | 74.254 ± 0.006° |
| γ | 78.403 ± 0.006° |
| Cell volume | 1437.42 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0798 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7033380.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7033380.cif |
| 138652 | 2015-06-07 | cif/ Updating files of 7033377, 7033378, 7033379, 7033380, 7033381, 7033382, 7033383, 7033384 Original log message: Adding full bibliography for 7033377--7033384.cif. |
7033380.cif |
| 128516 | 2014-12-11 | cif/ Adding structures of 7033377, 7033378, 7033379, 7033380, 7033381, 7033382, 7033383, 7033384 via cif-deposit CGI script. |
7033380.cif |
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Users of the data should acknowledge the original authors of the
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