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Information card for entry 4132782
Preview
Coordinates | 4132782.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H53.5 F9 Fe3 Mn N13.38 O14.12 S3 |
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Calculated formula | C76 H53.5 F9 Fe3 Mn N13.379 O14.121 S3 |
Title of publication | Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II. |
Authors of publication | Reed, Christopher J.; Agapie, Theodor |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 34 |
Pages of publication | 10900 - 10908 |
a | 44.125 ± 0.002 Å |
b | 14.3106 ± 0.0007 Å |
c | 24.8034 ± 0.001 Å |
α | 90° |
β | 90.402 ± 0.003° |
γ | 90° |
Cell volume | 15661.9 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
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 | 0.1219 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.2131 |
Weighted residual factors for all reflections included in the refinement | 0.2471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4132782.html
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