Information card for entry 2238847

Structure parameters

• Chemical name: Di-<i>μ</i>~2~-acetato-1:2<i>κ</i>^2^<i>O</i>:<i>O</i>';2:3<i>κ</i>^2^<i>O</i>:<i>O</i>'-bis{<i>μ</i>~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>κ</i>^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>κ</i>^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium(II)
• Formula: C42 H42 Cd3 Cl4 N4 O8
• Calculated formula: C42 H42 Cd3 Cl4 N4 O8
• SMILES: c12c(C=[N]3CC(C[N]4=Cc5cc(ccc5[O]5[Cd]634[O]1[Cd]135([O]=C(O6)C)[O]4c5ccc(cc5C=[N]5CC(C[N]6=Cc7cc(ccc7[O]1[Cd]456OC(=[O]3)C)Cl)(C)C)Cl)Cl)(C)C)cc(cc2)Cl
• Title of publication: Di-<i>{μ</i>}~2~-acetato-1:2<i>{κ</i>}^2^<i>O</i>:<i>O</i>';2:3<i>{κ</i>}^2^<i>O</i>:<i>O</i>'-bis{<i>{μ</i>}~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>{κ</i>}^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>{κ</i>}^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium
• Authors of publication: Kubono, Koji; Tani, Keita; Yokoi, Kunihiko; Shinmyozu, Teruo; Goto, Kenta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m629 - m630
• a: 19.3078 ± 0.0015 Å
• b: 11.2651 ± 0.0008 Å
• c: 20.535 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4466.5 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No