Information card for entry 4512011

Structure parameters

• Formula: C48 H41 N2 O20 Zn4
• Calculated formula: C48 H41 N2 O20 Zn4
• Title of publication: How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks
• Authors of publication: Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5452
• a: 33.843 ± 0.012 Å
• b: 9.954 ± 0.003 Å
• c: 35.817 ± 0.012 Å
• α: 90°
• β: 106.562 ± 0.005°
• γ: 90°
• Cell volume: 11565 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1481
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No