Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021396
Preview
Coordinates | 2021396.cif |
---|---|
Structure factors | 2021396.hkl |
Original IUCr paper | HTML |
Formula | C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 |
---|---|
Calculated formula | C116 H87 As2 Cu8 Er2 K2 N16 O128 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 | 30.581 ± 0.002 Å |
b | 14.1638 ± 0.0006 Å |
c | 48.299 ± 0.003 Å |
α | 90° |
β | 108.273 ± 0.007° |
γ | 90° |
Cell volume | 19865 ± 2 Å3 |
Cell temperature | 140 ± 20 K |
Ambient diffraction temperature | 140 ± 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 | 0.1765 |
Residual factor for significantly intense reflections | 0.0872 |
Weighted residual factors for significantly intense reflections | 0.1424 |
Weighted residual factors for all reflections included in the refinement | 0.1832 |
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. |
2021396.cif 2021396.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.