Information card for entry 7226685

Structure parameters

• Formula: C112 H48 N4 O24 S4 Zn6
• Calculated formula: C112 H48 N4 O24 S4 Zn6
• Title of publication: Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework
• Authors of publication: Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 41
• Pages of publication: 7972
• a: 39.751 ± 0.004 Å
• b: 9.7399 ± 0.0011 Å
• c: 18.388 ± 0.002 Å
• α: 90°
• β: 91.374 ± 0.004°
• γ: 90°
• Cell volume: 7117.2 ± 1.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No