Information card for entry 2231067

Structure parameters

• Chemical name: 2-[({[Bis(pyridin-2-yl)methylidene]hydrazinecarbonyl}hydrazinylidene)(pyridin- 2-yl)methyl]pyridinium tetrafluoroborate
• Formula: C23 H19 B F4 N8 O
• Calculated formula: C23 H19 B F4 N8 O
• SMILES: O=C(N/N=C(c1ncccc1)/c1[nH+]cccc1)N/N=C(\c1ncccc1)c1ncccc1.[B](F)(F)(F)[F-]
• Title of publication: 2-[({[Bis(pyridin-2-yl)methylidene]hydrazinecarbonyl}hydrazinylidene)(pyridin-2-yl)methyl]pyridinium tetrafluoroborate
• Authors of publication: Zhang, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1874
• a: 7.9187 ± 0.0016 Å
• b: 10.626 ± 0.002 Å
• c: 13.623 ± 0.003 Å
• α: 90.03 ± 0.03°
• β: 91.5 ± 0.03°
• γ: 97.85 ± 0.03°
• Cell volume: 1135.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes