Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018397
Preview
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018397.html
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.