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Information card for entry 7064453
Preview
| Coordinates | 7064453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-hydroxyphenyl-substituted 5,15-dioxaporphyrin nickel complex |
|---|---|
| Formula | C34 H26 N4 Ni O5 |
| Calculated formula | C34 H26 N4 Ni O5 |
| Title of publication | Supramolecular Polymerization of Antiaromatic 5,15-Dioxaporphyrin |
| Authors of publication | Duan, Ran; Mori, Shigeki; Saeki, Akinori; Iwasaki, Takanori; Shimizu, Soji |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| a | 13.0699 ± 0.0004 Å |
| b | 37.9564 ± 0.0015 Å |
| c | 11.1243 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5518.6 ± 0.3 Å3 |
| Cell temperature | 99.95 ± 0.1 K |
| Ambient diffraction temperature | 99.95 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.135 |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for significantly intense reflections | 0.1757 |
| Weighted residual factors for all reflections included in the refinement | 0.1861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306645 (current) | 2026-06-25 | cif/ Adding structures of 7064453 via cif-deposit CGI script. |
7064453.cif |
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