Information card for entry 7238486

Structure parameters

• Formula: C83 H123 N13 O20 Zn
• Calculated formula: C45 O8 Zn
• Title of publication: Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network
• Authors of publication: Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6952
• a: 23.9581 ± 0.0009 Å
• b: 23.9581 ± 0.0009 Å
• c: 29.2285 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14529.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.1937
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No