Information card for entry 4060207

Structure parameters

• Formula: C24 H19 N8
• Calculated formula: C24 H19 N8
• Title of publication: Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3
• Authors of publication: Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 291 - 294
• a: 7.7607 ± 0.0004 Å
• b: 10.097 ± 0.001 Å
• c: 13.895 ± 0.001 Å
• α: 89 ± 2°
• β: 84.063 ± 0.003°
• γ: 70.988 ± 0.003°
• Cell volume: 1023.6 ± 0.2 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.44
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No