Information card for entry 7201954

Structure parameters

• Formula: C20 H20 N4 O6 Zn
• Calculated formula: C20 H20 N4 O6 Zn
• Title of publication: Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands
• Authors of publication: Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1167
• a: 8.5804 ± 0.0002 Å
• b: 16.1162 ± 0.0004 Å
• c: 15.2193 ± 0.0004 Å
• α: 90°
• β: 90.428 ± 0.001°
• γ: 90°
• Cell volume: 2104.52 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No