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Information card for entry 7049782
Preview
| Coordinates | 7049782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H40 Cl2 N4 O2 |
|---|---|
| Calculated formula | C54 H40 Cl2 N4 O2 |
| Title of publication | Ni and Pd N-confused porphyrin complexes as catalysts for the synthesis of cyclic carbonates from epoxides and CO<sub>2</sub>. |
| Authors of publication | Dela Cruz, Jay-Ar B; Ruamps, Mirko; Arco, Susan; Hung, Chen-Hsiung |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 22 |
| Pages of publication | 7527 - 7531 |
| a | 10.2504 ± 0.0006 Å |
| b | 13.7475 ± 0.0007 Å |
| c | 16.1283 ± 0.001 Å |
| α | 106.468 ± 0.003° |
| β | 95.196 ± 0.003° |
| γ | 105.201 ± 0.003° |
| Cell volume | 2069.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1678 |
| Weighted residual factors for all reflections included in the refinement | 0.1866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049782.cif |
| 223819 | 2019-11-07 | cif/ Updating files of 7049782 Original log message: Adding full bibliography for 7049782.cif. |
7049782.cif |
| 214718 | 2019-04-23 | cif/ Adding structures of 7049782 via cif-deposit CGI script. |
7049782.cif |
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Users of the data should acknowledge the original authors of the
structural data.