Information card for entry 7207814

Structure parameters

• Formula: C17 H18 N2 O7 S Zn
• Calculated formula: C17 H18 N2 O7 S Zn
• Title of publication: Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand
• Authors of publication: Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3501
• a: 7.6682 ± 0.0017 Å
• b: 10.7302 ± 0.0019 Å
• c: 11.371 ± 0.002 Å
• α: 89.097 ± 0.005°
• β: 72.836 ± 0.006°
• γ: 89.849 ± 0.006°
• Cell volume: 893.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No