Information card for entry 2019905

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ μ-4,4'-(ethene-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']
• Formula: C36 H44 Gd2 N2 O14
• Calculated formula: C36 H44 Gd2 N2 O14
• SMILES: [Gd]1234([OH2])([O]=C(O1)/C=C/C)([O]=C(/C=C/C)O2)([O]=C(/C=C/C)[O]3[Gd]123([O]=C(/C=C/C)[O]43)([O]=C(O1)/C=C/C)([O]=C(O2)/C=C/C)([OH2])[n]1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Gd]1234([OH2])([O]=C(O1)/C=C/C)([O]=C(/C=C/C)O2)[O]=C(/C=C/C)[O]3[Gd]123([O]=C(/C=C/C)[O]43)([O]=C(O1)/C=C/C)([O]=C(O2)/C=C/C)[OH2]
• Title of publication: Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands
• Authors of publication: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• a: 8.5736 ± 0.0019 Å
• b: 10.436 ± 0.002 Å
• c: 11.995 ± 0.003 Å
• α: 66.935 ± 0.004°
• β: 74.909 ± 0.004°
• γ: 86.261 ± 0.004°
• Cell volume: 952.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes