Information card for entry 4337110

Structure parameters

• Formula: C42 H30 N0 O18 P2 Zn4
• Calculated formula: C42 H30 O18 P2 Zn4
• Title of publication: Construction of Two Microporous Metal-Organic Frameworks with flu and pyr Topologies Based on Zn4(μ3-OH)2(CO2)6 and Zn6(μ6-O)(CO2)6 Secondary Building Units.
• Authors of publication: Li, Xing-Jun; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Zhou, Kang; Yuan, Da-Qiang; Hong, Mao-Chun
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1032 - 1038
• a: 13.71 ± 0.003 Å
• b: 14.753 ± 0.003 Å
• c: 20.027 ± 0.004 Å
• α: 90°
• β: 107.969 ± 0.003°
• γ: 90°
• Cell volume: 3853.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No