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Information card for entry 7135154
Preview
| Coordinates | 7135154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H64 N12 O8 Zn2 |
|---|---|
| Calculated formula | C76 H64 N12 O8 Zn2 |
| Title of publication | Mechanically Interlocked Porphyrinoids: Self-Assembly of Metal-Stabilised Catenaphyrins |
| Authors of publication | Sarwa, Aleksandra; Matviyishyn, Maksym; Perdek, Jędrzej P.; Trzaskowski, Bartosz; Kulesza, Dagmara; Zych, Eugeniusz; Szyszko, Bartosz |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 23.123 ± 0.004 Å |
| b | 23.123 ± 0.004 Å |
| c | 16.184 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7494 ± 2 Å3 |
| Cell temperature | 99.98 ± 0.1 K |
| Ambient diffraction temperature | 99.98 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| 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 |
|---|---|---|---|
| 303200 (current) | 2025-11-06 | cif/ Adding structures of 7135153, 7135154 via cif-deposit CGI script. |
7135154.cif |
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