Information card for entry 4501290

Structure parameters

• Formula: C36 H33 N8 O16.5 Zr
• Calculated formula: C36 H32 N8 O16.5 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: 15.8577 ± 0.0004 Å
• b: 21.8722 ± 0.0007 Å
• c: 22.3681 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7758.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0717
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No