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Information card for entry 7250381
Preview
| Coordinates | 7250381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bzal-Zn7.5H2O |
|---|---|
| Formula | C67 H82 N8 O30 Zn7 |
| Calculated formula | C60 H78 N8 O24 Zn7 |
| Title of publication | Pseudo [M(II)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state. |
| Authors of publication | Jones, Leigh Fon; Slater-Parry , Mari Elena; Townrow, David; Ellaby, Rebecca; Page, Samuel J.; Ratanasakprakan, Chotima; Meally, Sean Tomas |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 14.01 Å |
| b | 14.01 Å |
| c | 23.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3909.96 Å3 |
| Cell temperature | 173 ± 0.2 K |
| Ambient diffraction temperature | 173 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.136 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299633 (current) | 2025-05-14 | cif/ Adding structures of 7250376, 7250377, 7250378, 7250379, 7250380, 7250381, 7250382, 7250383, 7250384 via cif-deposit CGI script. |
7250381.cif |
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Users of the data should acknowledge the original authors of the
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