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Information card for entry 7718780
Preview
| Coordinates | 7718780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H26 Cl3 Cu F6 N5 O2 |
|---|---|
| Calculated formula | C47 H26 Cl3 Cu F6 N5 O2 |
| Title of publication | Electron Deficient β-Trisubstituted Porphyrins: Synthesis, Structural, Spectral, and Electrochemical Studies and Their Intensity-Dependent Third-Order Nonlinear Optical Studies |
| Authors of publication | Jangra, Reena; Nair, Amritha J.; Kuriakose, Albin; Acharyya, Jitendra Nath; Prakash, Gaddam Vijaya; Sankar, Muniappan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 12.226 ± 0.0003 Å |
| b | 25.6553 ± 0.0005 Å |
| c | 12.8763 ± 0.0003 Å |
| α | 90° |
| β | 103.539 ± 0.001° |
| γ | 90° |
| Cell volume | 3926.57 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0598 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299776 (current) | 2025-05-22 | cif/ Adding structures of 7718778, 7718779, 7718780 via cif-deposit CGI script. |
7718780.cif |
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Users of the data should acknowledge the original authors of the
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