Information card for entry 4306024

Structure parameters

• Formula: C18 H21 O8 S6 Zn2
• Calculated formula: C18 H21 O8 S6 Zn2
• Title of publication: Coordination Networks from a Bifunctional Molecule Containing Carboxyl and Thioether Groups
• Authors of publication: Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7459 - 7461
• a: 25.5191 ± 0.0012 Å
• b: 25.5191 ± 0.0012 Å
• c: 50.91 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33154 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.3181
• Weighted residual factors for all reflections included in the refinement: 0.334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No