Information card for entry 4513212

Structure parameters

• Formula: C20 H28 N4 O
• Calculated formula: C20 H28 N4 O
• SMILES: c1cn(c(n1)C(C)C)Cc1ccc(Cn2ccnc2C(C)C)cc1.O
• Title of publication: A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers
• Authors of publication: Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3201
• a: 11.686 Å
• b: 11.971 Å
• c: 14.314 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2002.43 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No