Information card for entry 4501286

Structure parameters

• Formula: C32 H27 N8 O17.5 Zr
• Calculated formula: C32 H26 N8 O17.5 Zr
• Title of publication: Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity
• Authors of publication: Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5424
• a: 11.0271 ± 0.0003 Å
• b: 16.9334 ± 0.0005 Å
• c: 9.6188 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.08 ± 0.09 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No