Information card for entry 7207334

Structure parameters

• Formula: C44 H43 N6 O9 Zn2
• Calculated formula: C44 H43 N6 O9 Zn2
• Title of publication: Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand
• Authors of publication: Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1729
• a: 9.3233 ± 0.001 Å
• b: 10.1051 ± 0.0011 Å
• c: 23.432 ± 0.002 Å
• α: 78.751 ± 0.001°
• β: 79.329 ± 0.001°
• γ: 76.21 ± 0.001°
• Cell volume: 2080.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No