Information card for entry 2015965

Structure parameters

• Chemical name: 4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate)
• Formula: C12 H12 B2 F8 N4
• Calculated formula: C12 H12 B2 F8 N4
• SMILES: [B](F)(F)(F)[F-].C(c1cc[nH+]cc1)=NN=Cc1cc[nH+]cc1.[B](F)(F)(F)[F-]
• Title of publication: 4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate) and 4-[(4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate: two different hydrogen-bonding motifs
• Authors of publication: Ghazzali, Mohamed; Langer, Vratislav; Öhrström, Lars; Abu-Youssef, Morsy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o312 - o314
• a: 5.1056 ± 0.0003 Å
• b: 16.5856 ± 0.001 Å
• c: 9.6587 ± 0.0006 Å
• α: 90°
• β: 99.962 ± 0.001°
• γ: 90°
• Cell volume: 805.56 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes