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Information card for entry 7229431
Preview
| Coordinates | 7229431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H34 Co N6 |
|---|---|
| Calculated formula | C62 H34 Co N6 |
| Title of publication | New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies† |
| Authors of publication | Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 16.8011 ± 0.0019 Å |
| b | 13.6677 ± 0.0015 Å |
| c | 21.395 ± 0.002 Å |
| α | 90° |
| β | 103.239 ± 0.004° |
| γ | 90° |
| Cell volume | 4782.4 ± 0.9 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.101 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1469 |
| Weighted residual factors for all reflections included in the refinement | 0.1652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202440 (current) | 2017-10-31 | cif/ Adding structures of 7229426, 7229427, 7229428, 7229429, 7229430, 7229431, 7229432, 7229433, 7229434, 7229435 via cif-deposit CGI script. |
7229431.cif |
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Users of the data should acknowledge the original authors of the
structural data.