Information card for entry 2214675

Structure parameters

• Chemical name: Bis[2-(2-pyridylamino)pyridinium] squarate dihydrate
• Formula: C24 H24 N6 O6
• Calculated formula: C24 H24 N6 O6
• SMILES: c1cccc(Nc2ccccn2)[nH+]1.O=C1C(=O)C([O-])=C1[O-].O.c1cccc(n1)Nc1cccc[nH+]1.O
• Title of publication: Bis[2-(2-pyridylamino)pyridinium] squarate dihydrate
• Authors of publication: Ibrahim Uçar; Ahmet Bulut; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3377 - o3377
• a: 8.072 ± 0.002 Å
• b: 8.493 ± 0.003 Å
• c: 8.833 ± 0.002 Å
• α: 74.34 ± 0.03°
• β: 87.26 ± 0.02°
• γ: 71.85 ± 0.04°
• Cell volume: 553.6 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes