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Information card for entry 7015597
Preview
Coordinates | 7015597.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H45 Cl2 Fe N10 O10 |
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Calculated formula | C39 H45 Cl2 Fe N10 O10 |
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 | 12.11 ± 0.002 Å |
b | 12.182 ± 0.003 Å |
c | 17.153 ± 0.003 Å |
α | 93.438 ± 0.004° |
β | 92.457 ± 0.003° |
γ | 91.588 ± 0.004° |
Cell volume | 2522.4 ± 0.9 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1212 |
Residual factor for significantly intense reflections | 0.0953 |
Weighted residual factors for significantly intense reflections | 0.2601 |
Weighted residual factors for all reflections included in the refinement | 0.2883 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 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. |
7015597.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015597.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015597.cif |
21200 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015594, 7015595, 7015596, 7015597, 7015598 via cif-deposit CGI script. |
7015597.cif |
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Users of the data should acknowledge the original authors of the
structural data.