Information card for entry 7201953

Structure parameters

• Formula: C19 H20 N4 O4 Zn
• Calculated formula: C19 H20 N4 O4 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: 8.927 ± 0.0007 Å
• b: 14.0754 ± 0.0011 Å
• c: 15.1592 ± 0.0012 Å
• α: 90°
• β: 98.899 ± 0.003°
• γ: 90°
• Cell volume: 1881.8 ± 0.3 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: 0.0707
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No