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Information card for entry 2021393
Preview
| Coordinates | 2021393.cif |
|---|---|
| Structure factors | 2021393.hkl |
| Original IUCr paper | HTML |
| Formula | C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 |
|---|---|
| Calculated formula | C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 |
| Title of publication | Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates |
| Authors of publication | Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| a | 30.4415 ± 0.0007 Å |
| b | 14.0792 ± 0.0003 Å |
| c | 48.0609 ± 0.0014 Å |
| α | 90° |
| β | 108.235 ± 0.003° |
| γ | 90° |
| Cell volume | 19564.1 ± 0.9 Å3 |
| Cell temperature | 133 ± 11 K |
| Ambient diffraction temperature | 133 ± 11 K |
| Number of distinct elements | 9 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212254 (current) | 2018-11-30 | cif/ hkl/ Adding structures of 2021391, 2021392, 2021393, 2021394, 2021395, 2021396 via cif-deposit CGI script. |
2021393.cif 2021393.hkl |
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Users of the data should acknowledge the original authors of the
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