Information card for entry 7214659

Structure parameters

• Formula: C57 H59 N5 O11 S4 Zn2
• Calculated formula: C57 H59 N5 O11 S4 Zn2
• 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: 16.3642 ± 0.0006 Å
• b: 17.0748 ± 0.0006 Å
• c: 20.623 ± 0.0007 Å
• α: 90°
• β: 90.226 ± 0.002°
• γ: 90°
• Cell volume: 5762.3 ± 0.4 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: 0.0733
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No