Information card for entry 4060208

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: 7.8164 ± 0.0007 Å
• b: 10.3585 ± 0.0003 Å
• c: 14.02 ± 0.001 Å
• α: 88 ± 2°
• β: 83.944 ± 0.003°
• γ: 69.911 ± 0.003°
• Cell volume: 1060 ± 0.1 ų
• Cell temperature: 473.1 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: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.674
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No