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Information card for entry 2018398
Preview
| Coordinates | 2018398.cif |
|---|---|
| Structure factors | 2018398.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(2-carbamoylguanidinium) fluorophosphonate |
|---|---|
| Formula | C4 H18 F N8 O7 P |
| Calculated formula | C4 H18 F N8 O7 P |
| Title of publication | Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate |
| Authors of publication | Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o71 - o75 |
| a | 12.2788 ± 0.0001 Å |
| b | 17.4866 ± 0.0002 Å |
| c | 6.6851 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1435.39 ± 0.03 Å3 |
| Cell temperature | 120 ± 0.14 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.93 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018398.cif 2018398.hkl |
| 180852 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018398.cif 2018398.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. |
2018398.cif 2018398.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018398.cif 2018398.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. | 2018398.cif 2018398.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018398.cif 2018398.hkl |
| 38434 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018398, 2018399 via cif-deposit CGI script. |
2018398.cif |
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Users of the data should acknowledge the original authors of the
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