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Information card for entry 1529428
Preview
| Coordinates | 1529428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5-{4-[Rhenium(I)tricarbonyl(3-picoline)-4-methyl-2,2?-bipyridine- 4?-carboxyamidyl]phenyl}-10,15,20-triphenylporphyrinatozinc(II) hexafluorophosphate |
|---|---|
| Formula | C67.5 H49 Cl5 F6 N8 O4 P Re Zn |
| Calculated formula | C67.5 H49 Cl5 F6 N8 O4 P Re Zn |
| Title of publication | Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy |
| Authors of publication | Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 6847 |
| a | 12.9474 ± 0.0005 Å |
| b | 15.8804 ± 0.0005 Å |
| c | 17.3277 ± 0.0006 Å |
| α | 98.752 ± 0.003° |
| β | 92.264 ± 0.003° |
| γ | 106.821 ± 0.003° |
| Cell volume | 3357.4 ± 0.2 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 0.1 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1868 |
| Weighted residual factors for all reflections included in the refinement | 0.1986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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. |
1529428.cif |
| 170979 | 2015-12-09 | cif/ Updating files of 1529427, 1529428 Original log message: Adding full bibliography for 1529427--1529428.cif. |
1529428.cif |
| 153563 | 2015-08-21 | cif/ Adding structures of 1529427, 1529428 via cif-deposit CGI script. |
1529428.cif |
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