Information card for entry 2012167

Structure parameters

• Common name: MEM(TCNQ)2
• Chemical name: 1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane
• Formula: C31 H24 N9 O
• Calculated formula: C31 H24 N9 O
• Title of publication: MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition
• Authors of publication: Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 991 - 993
• a: 7.803 ± 0.001 Å
• b: 15.353 ± 0.002 Å
• c: 6.985 ± 0.001 Å
• α: 112.3 ± 0.01°
• β: 74.44 ± 0.01°
• γ: 111.84 ± 0.01°
• Cell volume: 710.73 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes