Information card for entry 7208059

Structure parameters

• Formula: C104 H110 N8 O61 S4 Zn8
• Calculated formula: C104 H110 N8 O61 S4 Zn8
• Title of publication: N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties
• Authors of publication: Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4444
• a: 9.2969 ± 0.0005 Å
• b: 15.1541 ± 0.0007 Å
• c: 21.5699 ± 0.001 Å
• α: 77.95 ± 0.004°
• β: 89.748 ± 0.004°
• γ: 86.294 ± 0.004°
• Cell volume: 2965.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No