Information card for entry 7202254

Structure parameters

• Formula: C30 H17 Cl N7
• Calculated formula: C30 H17 Cl N7
• Title of publication: A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties
• Authors of publication: Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1574
• a: 7.666 ± 0.002 Å
• b: 11.987 ± 0.003 Å
• c: 13.808 ± 0.004 Å
• α: 82.236 ± 0.004°
• β: 88.974 ± 0.004°
• γ: 86.329 ± 0.004°
• Cell volume: 1254.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No