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Information card for entry 2021265
Preview
| Coordinates | 2021265.cif |
|---|---|
| Structure factors | 2021265.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)] |
|---|---|
| Formula | C36 H25 Gd N6 O14 |
| Calculated formula | C36 H25 Gd N6 O14 |
| Title of publication | Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand |
| Authors of publication | Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| a | 14.9855 ± 0.0008 Å |
| b | 14.9855 ± 0.0008 Å |
| c | 27.949 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5435.5 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211523 (current) | 2018-10-18 | cif/ hkl/ Adding structures of 2021263, 2021264, 2021265, 2021266, 2021267, 2021268, 2021269, 2021270 via cif-deposit CGI script. |
2021265.cif 2021265.hkl |
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Users of the data should acknowledge the original authors of the
structural data.