Information card for entry 7206710

Structure parameters

• Formula: C34 H42 Cl4 Cu N2 O4
• Calculated formula: C34 H42 Cl4 Cu N2 O4
• SMILES: C(c1ccc(cc1)OC)[NH+](Cc1ccc(OC)cc1)CC[NH+](Cc1ccc(cc1)OC)Cc1ccc(OC)cc1.Cl[Cu](Cl)([Cl-])[Cl-]
• Title of publication: Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)
• Authors of publication: Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6753
• a: 25.614 ± 0.005 Å
• b: 10.367 ± 0.002 Å
• c: 14.328 ± 0.003 Å
• α: 90°
• β: 110.43 ± 0.03°
• γ: 90°
• Cell volume: 3565.3 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No