Information card for entry 2233344

Structure parameters

• Common name: 1,1-Dimethylbiguanidium(2+) dinitrate metformin nitrate
• Chemical name: 1,1-Dimethylbiguanidium(2+) dinitrate
• Formula: C4 H13 N7 O6
• Calculated formula: C4 H13 N7 O6
• SMILES: C(=[NH2+])(N)NC(=[NH2+])N(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: 1,1-Dimethylbiguanidium(2+) dinitrate
• Authors of publication: Fridrichová, Michaela; Císařová, Ivana; Němec, Ivan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o18 - o19
• a: 7.785 ± 0.0002 Å
• b: 5.7313 ± 0.0002 Å
• c: 26.5321 ± 0.0007 Å
• α: 90°
• β: 101.602 ± 0.0015°
• γ: 90°
• Cell volume: 1159.63 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes