Information card for entry 2228432

Structure parameters

• Chemical name: {2,2'-[1,1'-(Ethane-1,2- diyldinitrilo)diethylidyne]diphenolato}bis(pyrrolidine)cobalt(III) perchlorate <i>p</i>-xylene hemisolvate
• Formula: C30 H41 Cl Co N4 O6
• Calculated formula: C30 H41 Cl Co N4 O6
• SMILES: C1CCC[NH]1[Co]123([NH]4CCCC4)[N](=C(c4c(cccc4)O2)C)CC[N]1=C(C)c1c(cccc1)O3.c1(C)ccc(cc1)C.[O-]Cl(=O)(=O)=O
• Title of publication: {2,2'-[1,1'-(Ethane-1,2-diyldinitrilo)diethylidyne]diphenolato}bis(pyrrolidine)cobalt(III) perchlorate <i>p</i>-xylene hemisolvate
• Authors of publication: Salehi, Mehdi; Dutkiewicz, Grzegorz; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1590 - m1591
• a: 13.118 ± 0.002 Å
• b: 16.551 ± 0.003 Å
• c: 13.784 ± 0.002 Å
• α: 90°
• β: 92.87 ± 0.02°
• γ: 90°
• Cell volume: 2989 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes