Information card for entry 2227437

Structure parameters

• Chemical name: Tetrakis[μ-2-(3,4-dimethoxyphenyl)acetato]-κ^4^<i>O</i>:<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis{[2-(3,4-dimethoxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>'](1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')samarium(III)}
• Formula: C84 H82 N4 O24 Sm2
• Calculated formula: C84 H82 N4 O24 Sm2
• SMILES: [n]12c3c(ccc4ccc[n](c34)[Sm]345671([O]=C(Cc1ccc(c(c1)OC)OC)O4)[O](C(=[O]3)Cc1ccc(OC)c(OC)c1)[Sm]134([n]8cccc9ccc%10ccc[n]1c%10c89)([O]=C(Cc1ccc(c(c1)OC)OC)O3)([O]5C(=[O]4)Cc1ccc(OC)c(OC)c1)([O]=C(Cc1ccc(OC)c(c1)OC)O6)OC(Cc1ccc(OC)c(c1)OC)=[O]7)ccc2
• Title of publication: Tetrakis[μ-2-(3,4-dimethoxyphenyl)acetato]-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis{[2-(3,4-dimethoxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')samarium(III)}
• Authors of publication: Liu, Jia-Lu; Li, Hua-Qiong; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1377 - m1378
• a: 12.3696 ± 0.0001 Å
• b: 12.4344 ± 0.0001 Å
• c: 14.7467 ± 0.0001 Å
• α: 90.641 ± 0.001°
• β: 103.492 ± 0.001°
• γ: 116.648 ± 0.001°
• Cell volume: 1953.71 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.759
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes