Information card for entry 1514834

Structure parameters

• Formula: C18.87 H19.16 N2 O2 Zn
• Calculated formula: C18.867 H19.156 N2 O2 Zn
• Title of publication: A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds
• Authors of publication: He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 351
• a: 13.9562 ± 0.0009 Å
• b: 23.5904 ± 0.0015 Å
• c: 23.5858 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7765.2 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No