Information card for entry 4501724

Structure parameters

• Formula: C23 H21 Cl2 N5 O8
• Calculated formula: C23 H21 Cl2 N5 O8
• 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: 10.6693 ± 0.0003 Å
• b: 10.6693 ± 0.0003 Å
• c: 38.8144 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3826.44 ± 0.18 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No