Information card for entry 7220758

Structure parameters

• Formula: C117 H71 N4 O12 Zn2.5
• Calculated formula: C117 H71 N4 O12 Zn2.5
• 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: 17.2471 ± 0.0019 Å
• b: 18.932 ± 0.003 Å
• c: 21.34 ± 0.002 Å
• α: 88.588 ± 0.01°
• β: 73.431 ± 0.007°
• γ: 66.759 ± 0.008°
• Cell volume: 6106.1 ± 1.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.2095
• Residual factor for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections: 0.3903
• Weighted residual factors for significantly intense reflections: 0.3658
• Weighted residual factors for all reflections included in the refinement: 0.3903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9888
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No