Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2234321
Preview
| Coordinates | 2234321.cif |
|---|---|
| Structure factors | 2234321.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[Amino(imino)methyl]uronium tetrafluoroborate |
|---|---|
| Formula | C2 H7 B F4 N4 O |
| Calculated formula | C2 H7 B F4 N4 O |
| SMILES | [B](F)(F)(F)[F-].NC(=O)NC(=[NH2+])N |
| Title of publication | <i>N</i>-[Amino(imino)methyl]uronium tetrafluoroborate |
| Authors of publication | Fridrichová, Michaela; Fábry, Jan; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1114 - o1115 |
| a | 7.8409 ± 0.0003 Å |
| b | 9.6373 ± 0.0004 Å |
| c | 9.5199 ± 0.0004 Å |
| α | 90° |
| β | 105.689 ± 0.003° |
| γ | 90° |
| Cell volume | 692.57 ± 0.05 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0249 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for all reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections | 1.74 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.74 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/43. |
2234321.cif 2234321.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2234321.cif 2234321.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234321.cif 2234321.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234321.cif 2234321.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234321.cif 2234321.hkl |
| 55592 | 2012-05-05 | cif/ Adding structures of 2234321 via cif-deposit CGI script. |
2234321.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.