Information card for entry 7717167

Structure parameters

• Formula: C34 H20 N3 O4.5 Zn1.5
• Calculated formula: C34 H20 N3 O4.5 Zn1.5
• Title of publication: Design and synthesis of pillared metal-organic frameworks featuring olefinic fragments
• Authors of publication: Mander, Rachel Leigh; Schmidt, Ashley; Ruf, Michael; Korzynski, Maciej Damian
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 16.599 ± 0.005 Å
• b: 16.699 ± 0.005 Å
• c: 23.014 ± 0.008 Å
• α: 87.875 ± 0.014°
• β: 77.058 ± 0.012°
• γ: 89.941 ± 0.009°
• Cell volume: 6213 ± 3 ų
• Cell temperature: 110 ± 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: 0.2126
• Residual factor for significantly intense reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.4039
• Weighted residual factors for all reflections included in the refinement: 0.449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No