Information card for entry 4500773

Structure parameters

• Common name: Zn4O(Me4BPDC)3
• Formula: C54 H48 O13 Zn4
• Calculated formula: C54 H48 O13 Zn4
• Title of publication: Nonlinear Properties in Coordination Copolymers Derived from Randomly Mixed Ligands
• Authors of publication: Park, Tae-Hong; Koh, Kyoungmoo; Wong-Foy, Antek G.; Matzger, Adam J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2059
• a: 22.6523 ± 0.0006 Å
• b: 22.6523 ± 0.0006 Å
• c: 65.9502 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 29307 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No