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Information card for entry 4124634
Preview
Coordinates | 4124634.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H48.5 Cl4 Fe2 N8 O9.25 |
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Calculated formula | C52 H48 Cl4 Fe2 N8 O9.25 |
Title of publication | Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation. |
Authors of publication | Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 41 |
Pages of publication | 13260 - 13263 |
a | 12.8064 ± 0.0005 Å |
b | 13.949 ± 0.0005 Å |
c | 15.8844 ± 0.0006 Å |
α | 91.03 ± 0.002° |
β | 96.339 ± 0.002° |
γ | 116.243 ± 0.002° |
Cell volume | 2522.39 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1076 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1353 |
Weighted residual factors for all reflections included in the refinement | 0.1563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.0333 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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