Information card for entry 7208534

Structure parameters

• Formula: C49.5 H40.5 N6.5 O12.5 Zn2
• Calculated formula: C49.5 H40.5 N6.5 O12.5 Zn2
• Title of publication: Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies
• Authors of publication: Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6182
• a: 10.9501 ± 0.0004 Å
• b: 20.6804 ± 0.0009 Å
• c: 21.8474 ± 0.0009 Å
• α: 90°
• β: 94.217 ± 0.002°
• γ: 90°
• Cell volume: 4934 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No