Information card for entry 2234842

Structure parameters

• Chemical name: Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III)
• Formula: C24 H32 Cl3 Cu N2 O6 Sm
• Calculated formula: C24 H32 Cl3 Cu N2 O6 Sm
• SMILES: [Sm]123([O]4[Cu]56(Cl)[N](=Cc7c(c(ccc7)[O]2C)[O]16)[C@@H]1CCCC[C@H]1[N]5=Cc1cccc(c14)[O]3C)(Cl)(Cl)([OH]C)[OH]C.[Sm]123([O]4[Cu]56(Cl)[N](=Cc7c(c(ccc7)[O]2C)[O]16)[C@H]1CCCC[C@@H]1[N]5=Cc1cccc(c14)[O]3C)(Cl)(Cl)([OH]C)[OH]C
• Title of publication: Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III)
• Authors of publication: Wang, Yan; Zhang, Qian; Yan, Peng-Fei; Hou, Guang-Feng; Li, Hong-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m589
• a: 7.513 ± 0.0015 Å
• b: 26.712 ± 0.005 Å
• c: 14.97 ± 0.005 Å
• α: 90°
• β: 110.21 ± 0.03°
• γ: 90°
• Cell volume: 2819.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes