Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325759
Preview
Coordinates | 4325759.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H76 Mn N2 O6 |
---|---|
Calculated formula | C56 H76 Mn N2 O6 |
SMILES | c12c3c(cc(c1Oc1c4N2[Mn]25(O3)(Oc4c(cc1C(C)(C)C)C(C)(C)C)N1c3c(c(cc(c3Oc3c1c(O5)c(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O2)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 | 23.54 ± 0.003 Å |
b | 20.047 ± 0.003 Å |
c | 12.6391 ± 0.0016 Å |
α | 90° |
β | 116.672 ± 0.002° |
γ | 90° |
Cell volume | 5329.8 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1045 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.0628 |
Weighted residual factors for all reflections included in the refinement | 0.0727 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.74 |
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/4325759.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.