Information card for entry 4512017

Structure parameters

• Formula: C10 H16 N4 O7 Zn
• Calculated formula: C10 H16 N4 O7 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: 8.333 ± 0.003 Å
• b: 9.78 ± 0.004 Å
• c: 10.67 ± 0.004 Å
• α: 67.335 ± 0.005°
• β: 68.389 ± 0.005°
• γ: 68.702 ± 0.005°
• Cell volume: 720.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No