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Information card for entry 7101843
Preview
Coordinates | 7101843.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C157 H141 Mn14 N14 O50 Sr |
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Calculated formula | C133 H105 Mn14 N2 O50 Sr |
SMILES | [Mn]12(OC(=[O][Mn]34(OC(=[O][Mn](OC(=[O]3)c3ccccc3)(O[Mn]35(OC(=[O][Mn]6(OC(=[O][Mn]78(OC(=[O][Mn]9OC(=[O][Mn]%10%11(OC(=[O][Mn](OC(=[O]1)c1ccccc1)(O[Mn]1%12(OC(=[O][Mn]%13(OC(=[O]1)c1ccccc1)(OC(=[O][Mn](OC(=[O]7)c1ccccc1)O%13)c1ccccc1)O%12)c1ccccc1)OC)O%11)c1ccccc1)(OC(=[O][Mn](OC(=[O]%10)c1ccccc1)(OC)O8)c1ccccc1)O[Mn]OC(=[O]9)c1ccccc1)c1ccccc1)c1ccccc1)O6)c1ccccc1)(OC(=[O]3)c1ccccc1)O5)c1ccccc1)OC)O4)c1ccccc1)O2)c1ccccc1)OC(=O)c1ccccc1.[Sr+2].N#CC.N#CC |
Title of publication | Heteronuclear Mn-Ca/Sr complexes, and Ca/Sr EXAFS spectral comparisons with the oxygen-evolving complex of photosystem II. |
Authors of publication | Mishra, Abhudaya; Yano, Junko; Pushkar, Yulia; Yachandra, Vittal K; Abboud, Khalil A; Christou, George |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 15 |
Pages of publication | 1538 - 1540 |
a | 18.4417 ± 0.0016 Å |
b | 19.043 ± 0.0016 Å |
c | 25.447 ± 0.002 Å |
α | 69.789 ± 0.002° |
β | 78.549 ± 0.002° |
γ | 73.792 ± 0.002° |
Cell volume | 8001.2 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.2011 |
Residual factor for significantly intense reflections | 0.0896 |
Weighted residual factors for significantly intense reflections | 0.2069 |
Weighted residual factors for all reflections included in the refinement | 0.2247 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/7101843.html
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