Information card for entry 4501726

Structure parameters

• Formula: C21 H18 Cl2 N4
• Calculated formula: C21 H18 Cl2 N4
• SMILES: C(c1cc[nH+]cc1)(c1cc[nH+]cc1)(c1ccncc1)c1ccncc1.[Cl-].[Cl-]
• Title of publication: Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications
• Authors of publication: Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 2854
• a: 17.6828 ± 0.0011 Å
• b: 7.1254 ± 0.0005 Å
• c: 16.3438 ± 0.001 Å
• α: 90°
• β: 109.805 ± 0.0018°
• γ: 90°
• Cell volume: 1937.5 ± 0.2 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200 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 significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No