Information card for entry 1563223

Structure parameters

• Formula: C20 H12 Cl Cu2 N4 O2
• Calculated formula: C20 H12 Cl Cu2 N4 O2
• Title of publication: C‒H⋯Cl relevant discrepancy on structure, magnetic and electronic conductivity of two mixed-valence CuICuII coordination polymers
• Authors of publication: Shi, Ling; Yang, Ping; Huang, Guang; Li, Qian; Wang, Ning; Wu, Jian-Zhong; Yu, Ying
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 7
• Pages of publication: 1699 - 1706
• a: 10.6427 ± 0.0014 Å
• b: 13.0324 ± 0.0017 Å
• c: 15.2079 ± 0.0015 Å
• α: 90°
• β: 126.823 ± 0.006°
• γ: 90°
• Cell volume: 1688.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No