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Information card for entry 7038226
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Coordinates | 7038226.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ru(H2pdca)(pic)3 |
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Formula | C25 H26 F6 N6 O2 P Ru |
Calculated formula | C25 H26 F6 N6 O2 P Ru |
SMILES | [Ru]12(NC(=O)c3cccc(C(=O)N2)[n]13)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | A ruthenium water oxidation catalyst based on a carboxamide ligand. |
Authors of publication | Rabten, Wangchuk; Åkermark, Torbjörn; Kärkäs, Markus D; Chen, Hong; Sun, Junliang; Andersson, Pher G.; Åkermark, Björn |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3272 - 3276 |
a | 26.1423 ± 0.0002 Å |
b | 13.5644 ± 0.0002 Å |
c | 16.4508 ± 0.0003 Å |
α | 90° |
β | 98.943 ± 0.001° |
γ | 90° |
Cell volume | 5762.61 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.033 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1127 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7038226.html
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