Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003873
Preview
Coordinates | 4003873.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H15 F0.89 N2 O20 Si10 |
---|---|
Calculated formula | C8 H15 F0.893 N2 O20 Si10 |
Title of publication | Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology |
Authors of publication | Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E. |
Journal of publication | Chemistry of Materials |
Year of publication | 2021 |
a | 11.9347 ± 0.0018 Å |
b | 11.9347 ± 0.0018 Å |
c | 29.53 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3642.6 ± 0.9 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 6 |
Space group number | 179 |
Hermann-Mauguin space group symbol | P 65 2 2 |
Hall space group symbol | P 65 2 (0 0 1) |
Residual factor for all reflections | 0.0382 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
262241 (current) | 2021-02-26 | cif/ Adding structures of 4003873 via cif-deposit CGI script. |
4003873.cif |
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.