Information card for entry 2202020

Structure parameters

• Formula: C42 H40 Cl12 N6 O16 Pr2
• Calculated formula: C42 H40 Cl12 N6 O16 Pr2
• SMILES: c1ccc2c3[n]1[Pr]1456(OC(=O)C(Cl)(Cl)Cl)([n]7c3c(ccc7)cc2)([OH2])[O]=C(O[Pr]23([n]7cccc8c7c7c(ccc[n]27)cc8)([OH2])([O]=C(O1)C(Cl)(Cl)Cl)(OC(=O)C(Cl)(Cl)Cl)([O]=C([O]63)C)[O]5C(=[O]4)C)C(Cl)(Cl)Cl.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Di-μ-acetato-κ^3^<i>O,O</i>':<i>O</i>'-di-μ-trichloroacetato-κ^2^<i>O</i>:<i>O</i>'-bis[aqua(trichloroacetato)(1,10-phenanthroline-κ^2^<i>N,N</i>')praseodymium(III)] dimethylformamide disolvate
• Authors of publication: Shu-Yan Zhang; Zhan Shi; Long-Guan,Zhu; Ru-Ren Xu; Wen-Qin Pang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m142 - m144
• a: 10.351 ± 0.003 Å
• b: 12.475 ± 0.003 Å
• c: 13.424 ± 0.004 Å
• α: 113.89 ± 0.03°
• β: 102.18 ± 0.02°
• γ: 102.786 ± 0.018°
• Cell volume: 1455.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0783
• 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