Information card for entry 2211602

Structure parameters

• Chemical name: catena-Poly[[diaquaneodymium(III)]bis(μ-difluoroacetato- κ^2^O:O')[diaquaneodymium(III)]tetrakis(μ-difluoroacetato-κ^2^O:O')] monohydrate]
• Formula: C6 H9 F6 Nd O9
• Calculated formula: C6 H9 F6 Nd O9
• SMILES: [Nd]1234([OH2])([OH2])([O]=C(C(F)F)O[Nd]([O]=C(O1)C(F)F)(OC(=[O]2)C(F)F)([O]=C(O3)C(F)F)(OC(=O)C(F)F)([OH2])[OH2])[O]=C(C(F)F)O[Nd]123([OH2])([OH2])([O]=C(O4)C(F)F)[O]=C(C(F)F)O[Nd]([O]=C(O1)C(F)F)(OC(=[O]2)C(F)F)([O]=C(O3)C(F)F)(OC(=O)C(F)F)([OH2])[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquaneodymium(III)]bis(μ-difluoroacetato-κ^2^<i>O</i>:<i>O</i>')[diaquaneodymium(III)]tetrakis(μ-difluoroacetato-κ^2^<i>O</i>:<i>O</i>')] monohydrate]
• Authors of publication: Rohde, Alexander; Urland, Werner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3240 - m3241
• a: 8.405 ± 0.002 Å
• b: 9.508 ± 0.003 Å
• c: 9.639 ± 0.003 Å
• α: 66.67 ± 0.03°
• β: 79.34 ± 0.03°
• γ: 77.74 ± 0.03°
• Cell volume: 686.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes