Information card for entry 4349182

Structure parameters

• Formula: C37 H38 Cd2 Cl N4 O12 S6
• Calculated formula: C37 H34 Cd2 Cl N4 O12 S6
• Title of publication: Confinement Effects of Metal-Organic Framework on the Formation of Charge-Transfer Tetrathiafulvalene Dimers.
• Authors of publication: Chen, Ting; Huo, Peng; Hou, Jin-Le; Xu, Jing; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12758 - 12765
• a: 11.679 ± 0.002 Å
• b: 16.526 ± 0.003 Å
• c: 25.117 ± 0.005 Å
• α: 90°
• β: 90.02 ± 0.03°
• γ: 90°
• Cell volume: 4847.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No