Information card for entry 7215344

Structure parameters

• Formula: C48 H52 Cl6 N4 O12 Pr2 Zn2
• Calculated formula: C48 H52 Cl6 N4 O12 Pr2 Zn2
• SMILES: c1c2[O](C)[Pr]345([OH]C)([OH]C)([O]6c7c(C=[N]8[Zn]96([O]3c2c(cc1)C=[N]9c1ccccc81)Cl)cccc7[O]4C)([Cl][Pr]123([OH]C)([OH]C)([O]4c6c(cccc6[O]3C)C=[N]3c6c([N]7=Cc8cccc([O]2C)c8[O]1[Zn]437Cl)cccc6)([Cl]5)Cl)Cl
• Title of publication: Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes
• Authors of publication: Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6237
• a: 10.393 ± 0.002 Å
• b: 11.27 ± 0.002 Å
• c: 12.065 ± 0.002 Å
• α: 105.91 ± 0.03°
• β: 95.95 ± 0.03°
• γ: 96.73 ± 0.03°
• Cell volume: 1336 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No