Information card for entry 7212877

Structure parameters

• Formula: C16 H12 N4 O8 Zr0.5
• Calculated formula: C16 H12 N4 O8 Zr0.5
• Title of publication: Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework
• Authors of publication: Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3496
• a: 10.699 ± 0.003 Å
• b: 16.784 ± 0.006 Å
• c: 10.022 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.7 ± 1 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 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: 0.074
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No