Information card for entry 2209115

Structure parameters

• Chemical name: catena-Poly[trimethylammonium [[diaquabis(dichloroacetato- κ^2^O,O')gadolinium(III)]-di-μ-dichloroacetato-κ^4^O:O'] dichloroacetate]
• Formula: C11 H18 Cl8 Gd N O10
• Calculated formula: C11 H18 Cl8 Gd N O10
• SMILES: [Gd]12([O]=C(O1)C(Cl)Cl)([O]=C(C(Cl)Cl)O[Gd]1([O]=C(O1)C(Cl)Cl)([O]=C(O2)C(Cl)Cl)([OH2])[OH2])(OC(=O)C(Cl)Cl)(OC(=O)C(Cl)Cl)([OH2])[OH2].[O-]C(=O)C(Cl)Cl.[NH+](C)(C)C.O=C([O-])C(Cl)Cl.[NH+](C)(C)C
• Title of publication: <i>catena</i>-Poly[trimethylammonium [[diaquabis(dichloroacetato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]-di-μ-dichloroacetato-κ^4^<i>O</i>:<i>O</i>'] dichloroacetate]
• Authors of publication: Rohde, Alexander; Urland, Werner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1445 - m1447
• a: 9.401 ± 0.003 Å
• b: 16.562 ± 0.003 Å
• c: 16.868 ± 0.005 Å
• α: 90°
• β: 92.74 ± 0.03°
• γ: 90°
• Cell volume: 2623.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes