Information card for entry 2210895

Structure parameters

• Chemical name: catena-Poly[[(2,2'-bipyridine-κ^2^N,N')-praseodymium(III)]- μ-dichloroacetate-1κ^2^O:O':2κO-di-μ-dichloroacetato-κ^4^O:O']
• Formula: C16 H11 Cl6 N2 O6 Pr
• Calculated formula: C16 H11 Cl6 N2 O6 Pr
• SMILES: [Pr]123456([O]=C(O[Pr]789%10%11([O]=C(O6)C(Cl)Cl)([O](C(=[O]7)C(Cl)Cl)[Pr]67([O]=C(O8)C(Cl)Cl)(OC(=O)C(Cl)Cl)([O]%10C(=[O]6)C(Cl)Cl)([O]=C(O%11)C(Cl)Cl)[n]6ccccc6c6[n]7cccc6)[n]6ccccc6c6[n]9cccc6)C(Cl)Cl)([O](C(=[O]1)C(Cl)Cl)[Pr]16([O]=C(O2)C(Cl)Cl)(OC(=O)C(Cl)Cl)([O]4C(=[O]1)C(Cl)Cl)([O]=C(O5)C(Cl)Cl)[n]1ccccc1c1[n]6cccc1)[n]1ccccc1c1[n]3cccc1
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')-praseodymium(III)]-μ-dichloroacetate-1κ^2^<i>O</i>:<i>O</i>':2κ<i>O</i>-di-μ-dichloroacetato-κ^4^<i>O</i>:<i>O</i>']
• Authors of publication: Rohde, Alexander; Urland, Werner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2843 - m2845
• a: 8.8787 ± 0.0009 Å
• b: 12.2644 ± 0.0012 Å
• c: 12.3537 ± 0.0013 Å
• α: 109.28 ± 0.012°
• β: 104.493 ± 0.012°
• γ: 102.541 ± 0.012°
• Cell volume: 1161.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes