Information card for entry 2227903

Structure parameters

• Chemical name: Tetrakis(μ-3,4-dimethoxyphenylacetato)bis[(3,4-dimethoxyphenylacetato)(1,10- phenanthroline)holmium(III)]
• Formula: C84 H82 Ho2 N4 O24
• Calculated formula: C84 H82 Ho2 N4 O24
• SMILES: [Ho]123456([n]7cccc8c7c7[n]1cccc7cc8)([O]=C(Cc1cc(c(cc1)OC)OC)O3)[O]=C([O]2[Ho]123([n]7cccc8ccc9ccc[n]1c9c78)([O]=C(Cc1cc(c(cc1)OC)OC)O2)([O]=C([O]43)Cc1cc(OC)c(OC)cc1)([O]=C(Cc1ccc(OC)c(c1)OC)O6)OC(Cc1ccc(OC)c(c1)OC)=[O]5)Cc1cc(OC)c(OC)cc1
• Title of publication: Tetrakis(μ-3,4-dimethoxyphenylacetato)bis[(3,4-dimethoxyphenylacetato)(1,10-phenanthroline)holmium(III)]
• Authors of publication: Zhao, Guo-Liang; Liu, Jia-Lu; Liu, Jian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1272 - m1273
• a: 12.3069 ± 0.0002 Å
• b: 12.3789 ± 0.0002 Å
• c: 14.6591 ± 0.0002 Å
• α: 91.02 ± 0.001°
• β: 103.547 ± 0.001°
• γ: 115.477 ± 0.001°
• Cell volume: 1942.03 ± 0.06 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: 0.0459
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes