Information card for entry 2018394

Structure parameters

• Common name: guanylurea hydrogen fluorophosphonate
• Chemical name: 2-carbamoylguanidinium hydrogen fluorophosphonate
• Formula: C2 H8 F N4 O4 P
• Calculated formula: C2 H8 F N4 O4 P
• SMILES: P(=O)(O)([O-])F.C(=O)(N)NC(=[NH2+])N
• 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: 6.6567 ± 0.0003 Å
• b: 6.995 ± 0.0003 Å
• c: 16.2875 ± 0.0007 Å
• α: 90°
• β: 97.467 ± 0.004°
• γ: 90°
• Cell volume: 751.97 ± 0.06 ų
• Cell temperature: 119.8 K
• Ambient diffraction temperature: 119.8 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: 0.0506
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 2.31
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes