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Information card for entry 2018396
Preview
| Coordinates | 2018396.cif |
|---|---|
| Structure factors | 2018396.hkl |
| Original IUCr paper | HTML |
| Common name | guanylurea (hydrogen fluorophosphonate)0.115 (hydrogen phosphite)0.885 |
|---|---|
| Chemical name | 2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.115/0.885) |
| Formula | C2 H8.885 F0.115 N4 O4 P |
| Calculated formula | C2 H8.885 F0.115 N4 O4 P |
| Title of publication | Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7) |
| 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 | o76 - o83 |
| a | 6.67841 ± 0.00016 Å |
| b | 6.78864 ± 0.00013 Å |
| c | 16.2696 ± 0.0004 Å |
| α | 90° |
| β | 96.588 ± 0.002° |
| γ | 90° |
| Cell volume | 732.75 ± 0.03 Å3 |
| Cell temperature | 119.9 ± 0.2 K |
| Ambient diffraction temperature | 119.9 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0194 |
| Residual factor for significantly intense reflections | 0.0191 |
| Weighted residual factors for significantly intense reflections | 0.0466 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 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. |
2018396.cif 2018396.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. |
2018396.cif 2018396.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018396.cif 2018396.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. | 2018396.cif 2018396.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018396.cif 2018396.hkl |
| 38433 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018394, 2018395, 2018396, 2018397 via cif-deposit CGI script. |
2018396.cif |
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Users of the data should acknowledge the original authors of the
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