Information card for entry 2219188

Structure parameters

• Chemical name: {1,8-Bis[2-(2-oxidobenzylideneamino)phenoxy]-3,6- dioxaoctane}nitratopraseodymium(III) trichloromethane solvate
• Formula: C33 H31 Cl3 N3 O9 Pr
• Calculated formula: C33 H31 Cl3 N3 O9 Pr
• SMILES: [Pr]12345678([N](c9ccccc9[O]2CC[O]3CC[O]4CC[O]5c2c([N]1=Cc1c(O7)cccc1)cccc2)=Cc1c(O6)cccc1)ON(=[O]8)=O.ClC(Cl)Cl
• Title of publication: {1,8-Bis[2-(2-oxidobenzylideneamino)phenoxy]-3,6-dioxaoctane}nitratopraseodymium(III) trichloromethane solvate
• Authors of publication: Liu, Wei-Sheng; Wang, Hui-Juan; Tang, Xiao-Liang; Zang, Zhi-Peng; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1087
• a: 11.3454 ± 0.0014 Å
• b: 20.15 ± 0.002 Å
• c: 15.4676 ± 0.0017 Å
• α: 90°
• β: 100.585 ± 0.002°
• γ: 90°
• Cell volume: 3475.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes