Information card for entry 2233340

Structure parameters

• Chemical name: Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate
• Formula: C6 H24 F2 N12 O10 P2
• Calculated formula: C6 H24 F2 N12 O10 P2
• SMILES: P(=O)(O)([O-])F.P(=O)([O-])([O-])F.[NH2+]=C(N)NC(=O)N.NC(=[NH2+])NC(=O)N.[NH2+]=C(N)NC(=O)N.O
• Title of publication: Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate
• Authors of publication: Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o47 - o48
• a: 6.7523 ± 0.0003 Å
• b: 8.2926 ± 0.0003 Å
• c: 9.7297 ± 0.0004 Å
• α: 100.63 ± 0.003°
• β: 90.885 ± 0.003°
• γ: 99.168 ± 0.003°
• Cell volume: 528.05 ± 0.04 ų
• Cell temperature: 297.1 K
• Ambient diffraction temperature: 297.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes