Information card for entry 2227925

Structure parameters

• Chemical name: Tetrakis[μ-2-(3,4-dimethoxyphenyl)acetato]- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^;κ^4^<i>O</i>^1^:<i>O</i>^1'^- bis{[2-(3,4-dimethoxyphenyl)acetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^](1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)}
• Formula: C84 H82 Er2 N4 O24
• Calculated formula: C84 H82 Er2 N4 O24
• SMILES: c1(ccc(CC2=[O][Er]34567([n]8cccc9c8c8[n]4cccc8cc9)(O2)[O]=C([O]5[Er]245([O]=C(Cc8cc(c(cc8)OC)OC)O6)([n]6cccc8ccc9ccc[n]2c9c68)([O]=C(Cc2ccc(c(c2)OC)OC)O5)([O]=C([O]74)Cc2cc(OC)c(OC)cc2)[O]=C(Cc2cc(OC)c(cc2)OC)O3)Cc2cc(OC)c(OC)cc2)cc1OC)OC
• Title of publication: Tetrakis[μ-2-(3,4-dimethoxyphenyl)acetato]-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^;κ^4^<i>O</i>^1^:<i>O</i>^1'^-bis{[2-(3,4-dimethoxyphenyl)acetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(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: m1411
• a: 12.3101 ± 0.0001 Å
• b: 12.3646 ± 0.0001 Å
• c: 14.626 ± 0.0002 Å
• α: 91.233 ± 0.001°
• β: 103.469 ± 0.001°
• γ: 114.876 ± 0.001°
• Cell volume: 1946.02 ± 0.04 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: 0.03
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes