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Information card for entry 7015595
Preview
| Coordinates | 7015595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H58 Cl3 Fe N12 O14 |
|---|---|
| Calculated formula | C46 H58 Cl3 Fe N12 O14 |
| Title of publication | Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase. |
| Authors of publication | Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 24 |
| Pages of publication | 6433 - 6439 |
| a | 11.8139 ± 0.0013 Å |
| b | 15.555 ± 0.002 Å |
| c | 16.3662 ± 0.0019 Å |
| α | 86.034 ± 0.004° |
| β | 71.979 ± 0.004° |
| γ | 89.103 ± 0.005° |
| Cell volume | 2853.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179859 (current) | 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 7/01/55. |
7015595.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015595.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015595.cif |
| 21200 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015594, 7015595, 7015596, 7015597, 7015598 via cif-deposit CGI script. |
7015595.cif |
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Users of the data should acknowledge the original authors of the
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