Information card for entry 7210541

Structure parameters

• Formula: C22 H24 O4 S2
• Calculated formula: C22 H24 O4 S2
• SMILES: COC(=O)c1ccc(cc1)C(=C(\c1ccc(C(=O)OC)cc1)CSC)\CSC
• Title of publication: Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids
• Authors of publication: Li, Yu; Song, Datong
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1821 - 1830
• a: 7.7087 ± 0.0005 Å
• b: 8.0642 ± 0.0003 Å
• c: 9.4794 ± 0.0006 Å
• α: 85.956 ± 0.002°
• β: 88.701 ± 0.002°
• γ: 63.24 ± 0.002°
• Cell volume: 524.83 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No