Information card for entry 2229456

Structure parameters

• Chemical name: Aqua[4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]nitratocopper(II) nitrate [4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]dinitratocopper(II) monohydrate
• Formula: C42 H32 Cl2 Cu2 N10 O14
• Calculated formula: C42 H32 Cl2 Cu2 N10 O14
• Title of publication: Aqua[4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]nitratocopper(II) nitrate [4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]dinitratocopper(II) monohydrate
• Authors of publication: Zhao, Juan; Shi, Shuo; Yao, Tianming; Tan, Zhongfei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m346
• a: 14.7172 ± 0.0002 Å
• b: 15.068 ± 0.0002 Å
• c: 20.4214 ± 0.0003 Å
• α: 90°
• β: 105.377 ± 0.001°
• γ: 90°
• Cell volume: 4366.51 ± 0.11 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: 0.0523
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes