Information card for entry 4505076

Structure parameters

• Formula: C12 H8 Cl Cu N O
• Calculated formula: C12 H8 Cl Cu N O
• 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: 3.7498 ± 0.0001 Å
• b: 11.5531 ± 0.0005 Å
• c: 11.6843 ± 0.0005 Å
• α: 89.189 ± 0.005°
• β: 80.976 ± 0.005°
• γ: 86.25 ± 0.006°
• Cell volume: 498.85 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No