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Information card for entry 1546942
Preview
| Coordinates | 1546942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106.943 H73.411 F7.411 N12 O14.4717 Ru3 |
|---|---|
| Calculated formula | C106.943 H73.4147 F7.41474 N12 O14.4716 Ru3 |
| Title of publication | Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles |
| Authors of publication | Kunz, Valentin; Lindner, Joachim O.; Schulze, Marcus; Röhr, Merle I. S.; Schmidt, David; Mitrić, Roland; Würthner, Frank |
| Journal of publication | Energy Environ. Sci. |
| Year of publication | 2017 |
| a | 26.1798 ± 0.0015 Å |
| b | 26.1798 ± 0.0015 Å |
| c | 30.736 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 18244 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200165 (current) | 2017-09-05 | cif/ Adding structures of 1546942 via cif-deposit CGI script. |
1546942.cif |
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Users of the data should acknowledge the original authors of the
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