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Information card for entry 7002820
Preview
Coordinates | 7002820.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H106 Cl4 Mn4 N18 O24 |
---|---|
Calculated formula | C96 H106 Cl4 Mn4 N18 O24 |
SMILES | Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Mn]12345[N](Cc6cccc[n]16)(Cc1cccc[n]21)CC[N]3(Cc1ccccc1)CC(O4)=[O][Mn]1234[N](Cc6cccc[n]16)(Cc1cccc[n]21)CC[N]3(Cc1ccccc1)CC(O4)=[O][Mn]1234[N](Cc6cccc[n]16)(Cc1cccc[n]21)CC[N]3(Cc1ccccc1)CC(O4)=[O][Mn]1234[N](Cc6cccc[n]16)(Cc1cccc[n]21)CC[N]3(Cc1ccccc1)CC(O4)=[O]5.N#CC.N#CC |
Title of publication | Two tetranuclear Mn-complexes as biomimetic models of the oxygen evolving complex in Photosystem II. A synthesis, characterisation and reactivity study |
Authors of publication | Berggren, Gustav; Thapper, Anders; Huang, Ping; Kurz, Philipp; Eriksson, Lars; Styring, Stenbjörn; Anderlund, Magnus F. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 45 |
Pages of publication | 10044 - 10054 |
a | 15.6096 ± 0.0007 Å |
b | 24.6816 ± 0.0015 Å |
c | 28.02 ± 0.0013 Å |
α | 90° |
β | 101.043 ± 0.005° |
γ | 90° |
Cell volume | 10595.4 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.2124 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1427 |
Weighted residual factors for all reflections included in the refinement | 0.1761 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.806 |
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/7002820.html
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