Information card for entry 2012168

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
• SMILES: N#CC(C#N)=C1C=CC(C=C1)=C(C#N)C#N.N#CC(C#N)=C1C=CC(C=C1)=C(C#N)C#N.[N+]1(CCOCC1)(C)CC
• 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: 7.773 ± 0.001 Å
• b: 15.315 ± 0.002 Å
• c: 6.8347 ± 0.0009 Å
• α: 113.249 ± 0.008°
• β: 73.569 ± 0.009°
• γ: 111.796 ± 0.009°
• Cell volume: 685.2 ± 0.16 ų
• Cell temperature: 10 ± 0.5 K
• Ambient diffraction temperature: 10 ± 0.5 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: 0.0309
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes