Information card for entry 4325789

Structure parameters

• Formula: C64 H50 Co3 N2 O30 S6
• Calculated formula: C64 H50 Co3 N2 O30 S6
• 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: 9.4298 ± 0.0006 Å
• b: 13.289 ± 0.0007 Å
• c: 16.2769 ± 0.0009 Å
• α: 101.468 ± 0.005°
• β: 99.225 ± 0.005°
• γ: 91.184 ± 0.005°
• Cell volume: 1970.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No