Information card for entry 7224069

Structure parameters

• Common name: {Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13FH6NO4]4}
• Formula: C216 H212 Cl4 Co16 F4 N4 O44 S16
• Calculated formula: C216 H194 Cl4 Co16 F4 N4 O44 S16
• Title of publication: pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands
• Authors of publication: Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4938
• a: 42.6717 ± 0.0011 Å
• b: 26.3547 ± 0.0007 Å
• c: 33.6116 ± 0.0009 Å
• α: 90°
• β: 113.576 ± 0.001°
• γ: 90°
• Cell volume: 34644.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No