Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7215993
Preview
| Coordinates | 7215993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | guanidinium tetrafluoroborate |
|---|---|
| Chemical name | guanidinium tetrafluoroborate |
| Formula | C H6 B F4 N3 |
| Calculated formula | C H6 B F4 N3 |
| SMILES | C(=[NH2+])(N)N.[B](F)(F)(F)[F-] |
| Title of publication | Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics |
| Authors of publication | Szafrański, Marek |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| a | 7.3952 ± 0.001 Å |
| b | 7.3952 ± 0.001 Å |
| c | 8.2763 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 391.98 ± 0.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Ambient diffracton pressure | 1030000 kPa |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215993.cif |
| 180490 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/59. |
7215993.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7215993.cif |
| 113962 | 2014-05-19 | cif/ Adding structures of 7215988, 7215989, 7215990, 7215991, 7215992, 7215993, 7215994, 7215995, 7215996, 7215997, 7215998, 7215999, 7216000 via cif-deposit CGI script. |
7215993.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.