Information card for entry 4502078

Structure parameters

• Formula: C62 H60 N12 O31 Zr2
• Calculated formula: C62 H58 N12 O31 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: 10.7023 ± 0.0004 Å
• b: 11.0948 ± 0.0004 Å
• c: 14.2396 ± 0.0006 Å
• α: 81.8 ± 0.003°
• β: 87.425 ± 0.003°
• γ: 81.5 ± 0.003°
• Cell volume: 1654.65 ± 0.11 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0674
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No