Information card for entry 4337109

Structure parameters

• Formula: C84 H48 N0 O30 P4 Zn6
• Calculated formula: C84 H48 O30 P4 Zn6
• 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: 22.9082 ± 0.0003 Å
• b: 22.9082 ± 0.0003 Å
• c: 22.9082 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12021.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No