Information card for entry 4316978

Structure parameters

• Formula: C24 H29 Cu3 O11 S8
• Calculated formula: C24 H29 Cu3 O11 S8
• Title of publication: Coordination Networks from Cu Cations and Tetrakis(methylthio)benzenedicarboxylic Acid: Tunable Bonding Patterns and Selective Sensing for NH3 Gas
• Authors of publication: Xiao-Ping Zhou; Zhengtao Xu; Jun He; Matthias Zeller; Allen D. Hunter; Rodolphe Clérac; Corine Mathonière; Stephen Sin-Yin Chui; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10191 - 10198
• a: 13.1697 ± 0.0015 Å
• b: 19.93 ± 0.002 Å
• c: 13.175 ± 0.0015 Å
• α: 90°
• β: 105.523 ± 0.002°
• γ: 90°
• Cell volume: 3331.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No