Information card for entry 7214660

Structure parameters

• Formula: C24 H35 N O4 S2 Zn
• Calculated formula: C24 H35 N O4 S2 Zn
• Title of publication: Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks
• Authors of publication: Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5801
• a: 7.503 ± 0.003 Å
• b: 18.281 ± 0.006 Å
• c: 19.375 ± 0.006 Å
• α: 90°
• β: 100.47 ± 0.015°
• γ: 90°
• Cell volume: 2613.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1697
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No