Information card for entry 2235192

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-4-yl)methanediamine monohydrate
• Formula: C21 H20 N6 O
• Calculated formula: C21 H20 N6 O
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-4-yl)methanediamine monohydrate
• Authors of publication: Shin, Jong Won; Min, Kil Sik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1600
• a: 13.9048 ± 0.0011 Å
• b: 13.7637 ± 0.0011 Å
• c: 10.0569 ± 0.0008 Å
• α: 90°
• β: 109.142 ± 0.002°
• γ: 90°
• Cell volume: 1818.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes