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Information card for entry 4124554
Preview
| Coordinates | 4124554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ain6815 |
|---|---|
| Formula | C29 H33 Cl2 Co4 F6 N4 O13.5 P |
| Calculated formula | C29 H32 Cl2 Co4 F2.013 N4 O13.5 P0.3355 |
| Title of publication | Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation. |
| Authors of publication | Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 40 |
| Pages of publication | 12865 - 12872 |
| a | 41.9657 ± 0.0018 Å |
| b | 22.9066 ± 0.0009 Å |
| c | 10.0764 ± 0.0004 Å |
| α | 90° |
| β | 102.568 ± 0.002° |
| γ | 90° |
| Cell volume | 9454.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.097 |
| Residual factor for significantly intense reflections | 0.0739 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4124554.cif |
| 170079 | 2015-11-06 | cif/ Updating files of 4124554, 4124555, 4124556 Original log message: Adding full bibliography for 4124554--4124556.cif. |
4124554.cif |
| 159528 | 2015-10-02 | cif/ Adding structures of 4124554 via cif-deposit CGI script. |
4124554.cif |
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Users of the data should acknowledge the original authors of the
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