Information card for entry 4512008

Structure parameters

• Formula: C38 H38 N2 O12 Zn2
• Calculated formula: C38 H38 N2 O12 Zn2
• 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: 32.407 ± 0.006 Å
• b: 9.575 ± 0.0018 Å
• c: 12.193 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3783.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No