Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7244188
Preview
| Coordinates | 7244188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B21 Ca3 H6 Li3 O39 |
|---|---|
| Calculated formula | B21 Ca3 H6 Li3 O39 |
| Title of publication | Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates |
| Authors of publication | Chen, Chong-An; Yang, Guo-Yu |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 8.7306 ± 0.0005 Å |
| b | 8.7306 ± 0.0005 Å |
| c | 12.5809 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 830.48 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271992 (current) | 2022-01-12 | cif/ Adding structures of 7244187, 7244188 via cif-deposit CGI script. |
7244188.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.