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Information card for entry 7710969
Preview
| Coordinates | 7710969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85.5 H109.5 Cl1.5 N10 O Zn2 |
|---|---|
| Calculated formula | C85 H109 N10 O Zn2 |
| Title of publication | Induction and Rationalization of Supramolecular Chirality in Highly-Flexible Zn(II)porphyrin Dimer: Structural, Spectroscopic and Theoretical Investigations |
| Authors of publication | Chandel, Dolly; Pal, Chandrani; Saha, Bapan; Ikbal, Sk Asif; Rath, Sankar Prasad |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 13.3808 ± 0.0009 Å |
| b | 16.7352 ± 0.001 Å |
| c | 18.344 ± 0.0013 Å |
| α | 79.021 ± 0.002° |
| β | 79.406 ± 0.002° |
| γ | 77.174 ± 0.002° |
| Cell volume | 3888.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1954 |
| Residual factor for significantly intense reflections | 0.0977 |
| Weighted residual factors for significantly intense reflections | 0.1867 |
| Weighted residual factors for all reflections included in the refinement | 0.2247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277249 (current) | 2022-08-16 | cif/ Adding structures of 7710969, 7710970, 7710971, 7710972 via cif-deposit CGI script. |
7710969.cif |
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