Information card for entry 2214887

Structure parameters

• Chemical name: catena-Poly[[diaqua(isonicotinato-κ^2^O,O')gadolinium(III)]-di-μ- isonicotinato-κ^4^O:O']
• Formula: C18 H16 Gd N3 O8
• Calculated formula: C18 H16 Gd N3 O8
• SMILES: [Gd]12([OH2])([OH2])([O]=C(O[Gd]3([OH2])([O]=C(O2)c2ccncc2)(OC(=O)c2ccncc2)([OH2])(OC(=O)c2ccncc2)[O]=C(c2ccncc2)O3)c2ccncc2)[O]=C(c2ccncc2)O1
• Title of publication: <i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>']
• Authors of publication: Chen, Feng-Ying; Wu, Wang-Ting; Liu, Feng; Yao, Li; He, Shui-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2151 - m2152
• a: 9.4786 ± 0.0006 Å
• b: 18.9589 ± 0.0011 Å
• c: 10.7557 ± 0.0006 Å
• α: 90°
• β: 92.313 ± 0.001°
• γ: 90°
• Cell volume: 1931.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes