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Information card for entry 1548580
Preview
| Coordinates | 1548580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H38.72 N6 O10.36 S2 |
|---|---|
| Calculated formula | C44 H30 N6 O10.359 S2 |
| Title of publication | Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups |
| Authors of publication | W. Robert Scheidt; Beisong Cheng; Allen G. Oliver; John A. Goodwin |
| Journal of publication | Journal of Porphyrins and Phthalocyanines |
| Year of publication | 2015 |
| Journal volume | 19 |
| Pages of publication | 1256 - 1261 |
| a | 8.506 ± 0.002 Å |
| b | 16.426 ± 0.003 Å |
| c | 29.288 ± 0.003 Å |
| α | 90° |
| β | 91.98 ± 0.01° |
| γ | 90° |
| Cell volume | 4089.7 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1368 |
| Residual factor for significantly intense reflections | 0.1107 |
| Weighted residual factors for significantly intense reflections | 0.3006 |
| Weighted residual factors for all reflections included in the refinement | 0.3331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.913 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204684 (current) | 2018-01-03 | cif/ Adding structures of 1548580 via cif-deposit CGI script. |
1548580.cif |
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Users of the data should acknowledge the original authors of the
structural data.