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Information card for entry 4130299
Preview
| Coordinates | 4130299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Cu(PPh2Pr)2dmp]2(PF6)2 |
|---|---|
| Formula | C96 H96 Cu2 F12 N8 P6 |
| Calculated formula | C96 H96 Cu2 F12 N8 P6 |
| Title of publication | Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst. |
| Authors of publication | Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 13 |
| Pages of publication | 4354 - 4357 |
| a | 12.1652 ± 0.0003 Å |
| b | 12.9516 ± 0.0003 Å |
| c | 15.5693 ± 0.0003 Å |
| α | 73.1952 ± 0.0012° |
| β | 74.4114 ± 0.0014° |
| γ | 77.2486 ± 0.0012° |
| Cell volume | 2234.56 ± 0.09 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.0952 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240781 (current) | 2019-11-25 | cif/ Adding structures of 4130299, 4130300 via cif-deposit CGI script. |
4130299.cif |
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Users of the data should acknowledge the original authors of the
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