Information card for entry 4350184

Structure parameters

• Formula: C32 H16 N4 O
• Calculated formula: C32 H16 N4 O
• SMILES: c1(c2cccc(c2)C#Cc2ccc(C#N)cc2)nnc(c2cc(ccc2)C#Cc2ccc(C#N)cc2)o1
• Title of publication: Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.
• Authors of publication: Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3325 - 3343
• a: 18.088 ± 0.004 Å
• b: 5.9662 ± 0.0014 Å
• c: 23.981 ± 0.005 Å
• α: 90°
• β: 110.751 ± 0.003°
• γ: 90°
• Cell volume: 2420.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No