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Information card for entry 4313339
Preview
Coordinates | 4313339.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H56 Cl3 Fe N12 O14 |
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Calculated formula | C38 H56 Cl3 Fe N12 O14 |
SMILES | [Fe]1234([n]5ccn(c5C(OC)(c5[n]1ccn5C)C(c1[n]2cn(c1)C(C)C)(C)C)C)[n]1ccn(c1C(OC)(c1[n]4ccn1C)C(c1[n]3cn(c1)C(C)C)(C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis, X-ray Crystal Structure, and Redox and Electronic Properties of Iron(III)-Polyimidazole Complexes Relevant to the Metal Sites of Iron Proteins |
Authors of publication | Anne-Sophie Chauvin; Yves-Michel Frapart; Jacqueline Vaissermann; Bruno Donnadieu; Jean-Pierre Tuchagues; Jean-Claude Chottard; Yun Li |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1895 - 1900 |
a | 16.1057 ± 0.0015 Å |
b | 11.1079 ± 0.0012 Å |
c | 26.283 ± 0.002 Å |
α | 90° |
β | 102.062 ± 0.01° |
γ | 90° |
Cell volume | 4598.2 ± 0.8 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0882 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.0902 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4313339.html
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