Information card for entry 4316230

Structure parameters

• Formula: C15 H10 Mn N2 O5 S2
• Calculated formula: C15 H8 Mn N2 O5 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: 24.472 ± 0.004 Å
• b: 10.4173 ± 0.0014 Å
• c: 16.127 ± 0.003 Å
• α: 90°
• β: 125.049 ± 0.003°
• γ: 90°
• Cell volume: 3365.8 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No