Information card for entry 7226684

Structure parameters

• Chemical name: UBMOF-3
• Formula: C101 H61.01 N7 O27 Zn6
• Calculated formula: C101 H61 N7 O27 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: 51.107 ± 0.013 Å
• b: 9.448 ± 0.003 Å
• c: 18.492 ± 0.005 Å
• α: 90°
• β: 102.189 ± 0.007°
• γ: 90°
• Cell volume: 8728 ± 4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.1527
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.2852
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No