Information card for entry 4509898

Structure parameters

• Formula: C17 H12 N O5 Zn
• Calculated formula: C17 H12 N O5 Zn
• Title of publication: Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
• Authors of publication: Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 491
• a: 10.9063 ± 0.0004 Å
• b: 10.9553 ± 0.0004 Å
• c: 16.599 ± 0.0007 Å
• α: 90°
• β: 101.655 ± 0.001°
• γ: 90°
• Cell volume: 1942.39 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No