Information card for entry 4502079

Structure parameters

• Formula: C56 H63 Cl6 N12 O41.5 Zr2
• Calculated formula: C56 H51 Cl6 N12 O41.5 Zr2
• Title of publication: Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks
• Authors of publication: Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4906
• a: 13.3247 ± 0.0014 Å
• b: 15.3217 ± 0.0016 Å
• c: 19.237 ± 0.002 Å
• α: 88.35 ± 0.004°
• β: 88.096 ± 0.005°
• γ: 86.067 ± 0.005°
• Cell volume: 3914.6 ± 0.7 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No