Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021392
Preview
| Coordinates | 2021392.cif |
|---|---|
| Structure factors | 2021392.hkl |
| Original IUCr paper | HTML |
| Formula | C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 |
|---|---|
| Calculated formula | C116 H92 As2 Cu8 Gd2 K2 N16 O126 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 | 30.5038 ± 0.0007 Å |
| b | 14.1439 ± 0.0004 Å |
| c | 48.2029 ± 0.0012 Å |
| α | 90° |
| β | 108.131 ± 0.003° |
| γ | 90° |
| Cell volume | 19764.2 ± 0.9 Å3 |
| Cell temperature | 190 ± 20 K |
| Ambient diffraction temperature | 190 ± 20 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| 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. |
2021392.cif 2021392.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.