Information card for entry 7227134

Structure parameters

• Formula: C18 H14 N2 O4 Zn
• Calculated formula: C18 H14 N2 O4 Zn
• Title of publication: Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands
• Authors of publication: Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 99
• a: 12.396 ± 0.003 Å
• b: 13.262 ± 0.003 Å
• c: 15.772 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2592.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.2084
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No