Information card for entry 7103147

Structure parameters

• Formula: C48 H40 N10 O12 Zn4
• Calculated formula: C47.97 H24 N10 O12 Zn4
• Title of publication: Organically templated metal-organic framework with 2-fold interpenetrated {3(3).5(9).6(3)}-lcy net.
• Authors of publication: Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Zhang, Lei; Cao, Xin-Yi; Yao, Yuan-Gen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2532 - 2534
• a: 22.3381 ± 0.0013 Å
• b: 22.3381 ± 0.0013 Å
• c: 22.3381 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11146.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No