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Information card for entry 2018397
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| Coordinates | 2018397.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | guanylurea (hydrogen fluorophosphonate)0.184 (hydrogen phosphite)0.816 |
|---|---|
| Chemical name | 2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.184/0.816) |
| Formula | C2 H8.816 F0.184 N4 O4 P |
| Calculated formula | C2 H8.816 F0.184 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 | 6.67722 ± 0.00016 Å |
| b | 6.8083 ± 0.0002 Å |
| c | 16.2809 ± 0.0004 Å |
| α | 90° |
| β | 96.644 ± 0.002° |
| γ | 90° |
| Cell volume | 735.17 ± 0.03 Å3 |
| Cell temperature | 119.9 ± 0.3 K |
| Ambient diffraction temperature | 119.9 ± 0.3 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 | 0.0226 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.79 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 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. |
2018397.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018397.cif |
| 38433 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018394, 2018395, 2018396, 2018397 via cif-deposit CGI script. |
2018397.cif |
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Users of the data should acknowledge the original authors of the
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