Information card for entry 4337065

Structure parameters

• Formula: C76 H62 N16 O Zn2
• Calculated formula: C76 H52 N16 O Zn2
• Title of publication: From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks
• Authors of publication: Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14439 - 14448
• a: 18.0754 ± 0.0009 Å
• b: 8.9756 ± 0.0003 Å
• c: 20.8164 ± 0.001 Å
• α: 90°
• β: 107.722 ± 0.002°
• γ: 90°
• Cell volume: 3216.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1376
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No