Information card for entry 2018396

Structure parameters

• 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 ų
• 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