Information card for entry 4512860

Structure parameters

• Formula: C25 H25 Co N2 O8 S2
• Calculated formula: C22 H18 Co N O7 S2
• Title of publication: Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand
• Authors of publication: Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1861
• a: 19.7657 ± 0.0008 Å
• b: 19.7657 ± 0.0008 Å
• c: 11.8402 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4006 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No