Information card for entry 2209695

Structure parameters

• Chemical name: catena-Poly[[(2,2'-bipyridine-κ^2^N,N')neodymium(III)]-μ-dichloroacetato- 1κ^2^O,O':2κO-di-μ-dichloroacetato-κ^4^O:O'-[(2,2'- bipyridine-κ^2^N,N')neodymium(III)]-di-μ-dichloroacetato-κ^4^O:O']
• Formula: C16 H11 Cl6 N2 Nd O6
• Calculated formula: C16 H11 Cl6 N2 Nd O6
• SMILES: [Nd]123456([O](C(=[O]1)C(Cl)Cl)[Nd]17([O]=C(O2)C(Cl)Cl)([O]4C(=[O]1)C(Cl)Cl)(OC(=O)C(Cl)Cl)([O]=C(O5)C(Cl)Cl)[n]1ccccc1c1[n]7cccc1)([O]=C(O[Nd]12457([O](C(=[O]1)C(Cl)Cl)[Nd]18([O]=C(O2)C(Cl)Cl)([O]5C(=[O]1)C(Cl)Cl)(OC(=O)C(Cl)Cl)([O]=C(O7)C(Cl)Cl)[n]1ccccc1c1[n]8cccc1)([O]=C(O6)C(Cl)Cl)[n]1ccccc1c1[n]4cccc1)C(Cl)Cl)[n]1ccccc1c1[n]3cccc1
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')neodymium(III)]-μ-dichloroacetato-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: 7
• Pages of publication: m1618 - m1619
• a: 8.8492 ± 0.0008 Å
• b: 12.2399 ± 0.0012 Å
• c: 12.3403 ± 0.0012 Å
• α: 109.336 ± 0.011°
• β: 104.427 ± 0.011°
• γ: 102.457 ± 0.011°
• Cell volume: 1154.6 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes