Information card for entry 4344415

Structure parameters

• Formula: C38 H22 Cl4 Cu F12 N4 O4 S4
• Calculated formula: C38 H22 Cl4 Cu F12 N4 O4 S4
• Title of publication: Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.
• Authors of publication: Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10766 - 10775
• a: 7.532 ± 0.004 Å
• b: 11.604 ± 0.006 Å
• c: 14.208 ± 0.007 Å
• α: 81.018 ± 0.009°
• β: 79.496 ± 0.008°
• γ: 73.902 ± 0.008°
• Cell volume: 1165.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No