Information card for entry 8103349

Structure parameters

• Chemical name: (4'-(4-t-butylphenyl)-2,2':6',2''-terpyridyl)copper(II) dichloride
• Formula: C25 H23 Cl2 Cu N3 O0
• Calculated formula: C25 H23 Cl2 Cu N3
• SMILES: [Cu]12(Cl)(Cl)[n]3c(cccc3)c3[n]2c(c2[n]1cccc2)cc(c1ccc(C(C)(C)C)cc1)c3
• Title of publication: Crystal structure of dichloro(4'-(4-t-butylphenyl)-2,2':6',2''-terpyridyl)copper(II), CuCl2(C25H23N3)
• Authors of publication: Daocheng Xia; Lifeng Liu; Xiuying Ma; Jingxia Ma; Jihuan Yao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 133
• a: 7.8744 ± 0.0003 Å
• b: 10.9456 ± 0.0005 Å
• c: 25.9386 ± 0.001 Å
• α: 90°
• β: 94.129 ± 0.003°
• γ: 90°
• Cell volume: 2229.85 ± 0.16 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: 0.0861
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No