Information card for entry 7214441

Structure parameters

• Chemical name: 2,2'-Bipyridinium picrate mono-acetonitrile solvate
• Formula: C18 H14 N6 O7
• Calculated formula: C18 H14 N6 O7
• Title of publication: Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts
• Authors of publication: Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 4508
• a: 3.7068 ± 0.001 Å
• b: 13.382 ± 0.003 Å
• c: 18.423 ± 0.005 Å
• α: 98.732 ± 0.004°
• β: 93.699 ± 0.004°
• γ: 95.739 ± 0.004°
• Cell volume: 895.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No