Information card for entry 7220757

Structure parameters

• Formula: C26 H15 O2.5 Zn0.5
• Calculated formula: C26 H15 O2.5 Zn0.5
• Title of publication: Metal organic frameworks from extended, conjugated pentiptycene-based ligands
• Authors of publication: Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 4912
• a: 17.128 ± 0.008 Å
• b: 35.003 ± 0.016 Å
• c: 11.62 ± 0.005 Å
• α: 90°
• β: 119.498 ± 0.006°
• γ: 90°
• Cell volume: 6064 ± 5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections: 0.2537
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No