Information card for entry 4512007

Structure parameters

• Formula: C36 H37.5 N5 O15 Zn3
• Calculated formula: C36 H36.91 N5 O15 Zn3
• 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: 12.366 ± 0.002 Å
• b: 13.439 ± 0.003 Å
• c: 26.969 ± 0.005 Å
• α: 90°
• β: 95.463 ± 0.003°
• γ: 90°
• Cell volume: 4461.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.263
• Weighted residual factors for all reflections included in the refinement: 0.2772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No