Information card for entry 7207811

Structure parameters

• Formula: C14 H18 O12 S2 Zn
• Calculated formula: C14 H18 O12 S2 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: 5.4378 ± 0.0011 Å
• b: 7.0974 ± 0.0014 Å
• c: 12.031 ± 0.002 Å
• α: 90.52 ± 0.03°
• β: 95.2 ± 0.03°
• γ: 102.28 ± 0.03°
• Cell volume: 451.64 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No