Information card for entry 2215732

Structure parameters

• Chemical name: Bis{2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato- κ^4^O,N,N',O'}cerium(IV) chloroform solvate
• Formula: C33 H37 Ce Cl3 N4 O4
• Calculated formula: C33 H37 Ce Cl3 N4 O4
• SMILES: [Ce]123456([NH](Cc7c(O3)cccc7)CC[NH]1Cc1c(O4)cccc1)[NH](Cc1c(O5)cccc1)CC[NH]2Cc1c(O6)cccc1.ClC(Cl)Cl
• Title of publication: Bis{2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato-κ^2^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}cerium(IV) chloroform solvate
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Wang, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2777 - m2778
• a: 12.493 ± 0.001 Å
• b: 14.199 ± 0.002 Å
• c: 20.253 ± 0.002 Å
• α: 90°
• β: 104.263 ± 0.002°
• γ: 90°
• Cell volume: 3481.9 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes