Information card for entry 4305400

Structure parameters

• Formula: C36 H31.2 O11.6 S2 Zn2
• Calculated formula: C36 H29.6 O11.6 S2 Zn2
• Title of publication: Novel Luminescent Metal-Organic Frameworks [Eu2L3(DMSO)2(MeOH)2].2DMSO.3H2O and [Zn2L2(DMSO)2].1.6H2O (L = 4,4'-Ethyne-1,2-diyldibenzoate)
• Authors of publication: Bich Tram Nguyen Pham; Liisa M. Lund; Datong Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6329 - 6335
• a: 15.8816 ± 0.0004 Å
• b: 9.2974 ± 0.0002 Å
• c: 25.287 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3733.82 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No