Information card for entry 7109709

Structure parameters

• Common name: (Co4(C40H44S4O4)Cl)CoCl2(C6H4NO2)2
• Formula: C64 H60 Cl3 Co5 N4 O12 S4
• Calculated formula: C64 H58 Cl3 Co5 N4 O12 S4
• Title of publication: Two 2D metal-calixarene aggregates incorporating pre-designed coordination nanocages
• Authors of publication: Huaqiao Tan; Shangchao Du; Yanfeng Bi; Wuping Liao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8211
• a: 15.6006 ± 0.0003 Å
• b: 15.6006 ± 0.0003 Å
• c: 38.9682 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9484 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No