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Information card for entry 4325760
Preview
Coordinates | 4325760.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C56 H76 Fe N2 O6 |
---|---|
Calculated formula | C56 H76 Fe N2 O6 |
SMILES | [Fe]1234(N5c6c(O1)c(cc(c6Oc1c5c(O2)c(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc1c2N3c3c(O4)c(cc(c3Oc2c(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands |
Authors of publication | Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7022 - 7032 |
a | 20.545 ± 0.003 Å |
b | 19.772 ± 0.003 Å |
c | 13.059 ± 0.002 Å |
α | 90° |
β | 90.029 ± 0.003° |
γ | 90° |
Cell volume | 5304.8 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1966 |
Residual factor for significantly intense reflections | 0.0714 |
Weighted residual factors for significantly intense reflections | 0.1195 |
Weighted residual factors for all reflections included in the refinement | 0.1669 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
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/4325760.html
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