Information card for entry 2228040

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[(cyclohexane-1,2- diyl)bis(nitriliomethylidyne)]diphenolato}trinitratolanthanum(III) methanol monosolvate
• Formula: C23 H30 La N5 O14
• Calculated formula: C23 H30 La N5 O14
• SMILES: [La]123456(ON(=[O]5)=O)(ON(=[O]6)=O)([O]=c5c(cccc5=CN[C@@H]5CCCC[C@@H]5NC=c5cccc(c5=[O]2)[O]3C)[O]1C)ON(=O)=[O]4.CO
• Title of publication: {6,6'-Dimethoxy-2,2'-[(cyclohexane-1,2-diyl)bis(nitriliomethylidyne)]diphenolato}trinitratolanthanum(III) methanol monosolvate
• Authors of publication: Chen, Peng; Bao, Yan; Yan, Peng-Fei; Li, Guang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1177
• a: 9.7809 ± 0.0004 Å
• b: 12.8783 ± 0.0005 Å
• c: 13.0904 ± 0.0005 Å
• α: 79.374 ± 0.001°
• β: 68.743 ± 0.001°
• γ: 82.27 ± 0.001°
• Cell volume: 1506.22 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes