Information card for entry 2221115

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[naphthalene-2,3- diylbis(nitrilomethylidyne)]diphenolato}thiocyanatocobalt(III) diethyl ether dichloromethane solvate
• Formula: C32 H32 Cl2 Co N3 O5 S
• Calculated formula: C32 H32 Cl2 Co N3 O5 S
• SMILES: [Co]123(Oc4c(C=[N]2c2cc5ccccc5cc2[N]3=Cc2cccc(OC)c2O1)cccc4OC)N=C=S.ClCCl.O(CC)CC
• Title of publication: {6,6'-Dimethoxy-2,2'-[naphthalene-2,3-diylbis(nitrilomethylidyne)]diphenolato}thiocyanatocobalt(III) diethyl ether dichloromethane solvate
• Authors of publication: Yu, Zhong; Kuroda-Sowa, Takayoshi; Nabei, Atsuhiro; Maekawa, Masahiko; Okubo, Takashi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m257 - m258
• a: 9.1935 ± 0.0009 Å
• b: 13.364 ± 0.0011 Å
• c: 25.91 ± 0.003 Å
• α: 90°
• β: 92.462 ± 0.006°
• γ: 90°
• Cell volume: 3180.4 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes