Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7114390
Preview
Coordinates | 7114390.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H82 Cl4 Mn4 N16 O23 |
---|---|
Calculated formula | C80 H82 Cl4 Mn4 N16 O23 |
Title of publication | Toward synthetic models for high oxidation state forms of the Photosystem II active site metal cluster: the first tetranuclear manganese cluster containing a [Mn4(µ-O)5]6+ coreElectronic supplementary information (ESI) available: Full ORTEP of cation, ESI mass spectrum and 1H NMR spectrum. 3D Picture of the crystal structure. See http://www.rsc.org/suppdata/cc/b1/b111554e/ |
Authors of publication | Mukhopadhyay, Sumitra; Staples, Richard J.; Armstrong, William H. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 8 |
Pages of publication | 864 |
a | 13.628 ± 0.002 Å |
b | 16.92 ± 0.003 Å |
c | 20.279 ± 0.003 Å |
α | 92.786 ± 0.003° |
β | 99.273 ± 0.003° |
γ | 102.05 ± 0.003° |
Cell volume | 4496.8 ± 1.2 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 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 | 0.0775 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1309 |
Weighted residual factors for all reflections included in the refinement | 0.1503 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7114390.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.