Information card for entry 2231629

Structure parameters

• Chemical name: μ-Acetato-diacetato{μ-6,6'-dimethoxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethanylylidene)]diphenolato}gadolinium(III)zinc
• Formula: C28 H27 Gd N2 O10 Zn
• Calculated formula: C28 H27 Gd N2 O10 Zn
• SMILES: [Gd]123456([O]=C(C)O[Zn]789([O]2c2c(C=[N]7c7ccccc7[N]8=Cc7cccc([O]6C)c7[O]59)cccc2[O]3C))([O]=C(O1)C)[O]=C(O4)C
• Title of publication: μ-Acetato-diacetato{μ-6,6'-dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethanylylidene)]diphenolato}gadolinium(III)zinc
• Authors of publication: Yang, Fan; Li, Guang-Ming; Chen, Peng; Yan, Peng-Fei; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1185
• a: 14.012 ± 0.003 Å
• b: 13.581 ± 0.003 Å
• c: 15.426 ± 0.003 Å
• α: 90°
• β: 103.65 ± 0.03°
• γ: 90°
• Cell volume: 2852.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes