Information card for entry 4316232

Structure parameters

• Formula: C21 H22 Cu N4 O6 S2
• Calculated formula: C21 H22 Cu N4 O6 S2
• Title of publication: Tetrathiafulvalene-Tetracarboxylate: An Intriguing Building Block with Versatility in Coordination Structures and Redox Properties
• Authors of publication: Yu-Rong Qin; Qin-Yu Zhu; Li-Bin Huo; Zheng Shi; Guo-Qing Bian; Jie Dai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7372 - 7381
• a: 10.215 ± 0.0003 Å
• b: 10.4799 ± 0.0004 Å
• c: 12.6602 ± 0.0004 Å
• α: 71.072 ± 0.01°
• β: 68.047 ± 0.01°
• γ: 69.032 ± 0.01°
• Cell volume: 1145.01 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No