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Information card for entry 4325763
Preview
Coordinates | 4325763.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92 H112 Cu N2 O6 |
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Calculated formula | C92 H112 Cu N2 O6 |
SMILES | c12N3c4c5O[Cu]673(Oc1c(cc(c2Oc4c(cc5C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)N1c2c(O7)c(cc(c2Oc2c1c(c(cc2C(C)(C)C)C(C)(C)C)O6)C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
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 | 20.558 ± 0.01 Å |
b | 18.436 ± 0.009 Å |
c | 20.851 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7903 ± 6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1025 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0617 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4325763.html
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Users of the data should acknowledge the original authors of the
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