Information card for entry 4325786

Structure parameters

• Formula: C224 H214 Co9 N14 O94 S18
• Calculated formula: C224 H214 Co9 N14 O94 S18
• Title of publication: Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands
• 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: 2011
• Journal volume: 50
• Pages of publication: 7142 - 7149
• a: 16.7182 ± 0.0009 Å
• b: 19.8442 ± 0.001 Å
• c: 21.4127 ± 0.0012 Å
• α: 66.305 ± 0.001°
• β: 82.873 ± 0.001°
• γ: 84.388 ± 0.001°
• Cell volume: 6445.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No