Information card for entry 4512018

Structure parameters

• Formula: C14.25 H17.75 N1.25 O6.25 Zn
• Calculated formula: C14.25 H17.75 N1.25 O6.25 Zn
• 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: 9.509 ± 0.003 Å
• b: 15.18 ± 0.004 Å
• c: 12.246 ± 0.003 Å
• α: 90°
• β: 93.835 ± 0.004°
• γ: 90°
• Cell volume: 1763.7 ± 0.8 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: 0.0573
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No