Information card for entry 2234321

Structure parameters

• Chemical name: <i>N</i>-[Amino(imino)methyl]uronium tetrafluoroborate
• Formula: C2 H7 B F4 N4 O
• Calculated formula: C2 H7 B F4 N4 O
• SMILES: [B](F)(F)(F)[F-].NC(=O)NC(=[NH2+])N
• Title of publication: <i>N</i>-[Amino(imino)methyl]uronium tetrafluoroborate
• Authors of publication: Fridrichová, Michaela; Fábry, Jan; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1114 - o1115
• a: 7.8409 ± 0.0003 Å
• b: 9.6373 ± 0.0004 Å
• c: 9.5199 ± 0.0004 Å
• α: 90°
• β: 105.689 ± 0.003°
• γ: 90°
• Cell volume: 692.57 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections: 1.74
• Goodness-of-fit parameter for all reflections included in the refinement: 1.74
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes