Information card for entry 4505077

Structure parameters

• Formula: C56 H44 Cu2 N4 O12
• Calculated formula: C56 H44 Cu2 N4 O12
• SMILES: c1(c2cnc(o2)c2ccc(cc2)c2[n](cc(o2)c2ccccc2)[Cu]2345[O]=C(O[Cu]5([n]5c(oc(c5)c5ccccc5)c5ccc(c6ncc(c7ccccc7)o6)cc5)([O]=C(O3)C)(OC(=[O]2)C)[O]=C(O4)C)C)ccccc1
• Title of publication: Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions
• Authors of publication: Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1485
• a: 8.3035 ± 0.0002 Å
• b: 11.382 Å
• c: 14.0112 ± 0.0001 Å
• α: 69.943 ± 0.005°
• β: 86.895 ± 0.006°
• γ: 74.063 ± 0.005°
• Cell volume: 1194.91 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No