Information card for entry 2224697

Structure parameters

• Chemical name: Tetrakis(μ~2~-3,4-dimethoxyphenylacetato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>'; κ^2^<i>O</i>:<i>O</i>'-bis[(3,4-dimethoxyphenylacetato- κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>)thulium(III)]
• Formula: C84 H82 N4 O24 Tm2
• Calculated formula: C84 H82 N4 O24 Tm2
• SMILES: [n]12cccc3ccc4c([n]([Tm]567892([O]=C(O7)Cc2ccc(OC)c(OC)c2)[O](C(Cc2ccc(c(c2)OC)OC)=[O]6)[Tm]267([n]%10cccc%11ccc%12ccc[n]2c%12c%10%11)([O]5C(Cc2ccc(c(c2)OC)OC)=[O]6)([O]=C(O7)Cc2ccc(OC)c(OC)c2)([O]=C(Cc2cc(OC)c(cc2)OC)O9)OC(Cc2cc(OC)c(cc2)OC)=[O]8)ccc4)c13
• Title of publication: Tetrakis(μ~2~-3,4-dimethoxyphenylacetato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>'-bis[(3,4-dimethoxyphenylacetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)thulium(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: 1
• Pages of publication: m9
• a: 12.3025 ± 0.0001 Å
• b: 12.3483 ± 0.0002 Å
• c: 14.5883 ± 0.0002 Å
• α: 91.457 ± 0.001°
• β: 103.403 ± 0.001°
• γ: 114.406 ± 0.001°
• Cell volume: 1944.71 ± 0.05 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 significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes