Information card for entry 2212795

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^O,O')thulium(III)]- μ-di-μ~2~-isonicotinato-κ^4^O:O']
• Formula: C18 H16 N3 O8 Tm
• Calculated formula: C18 H16 N3 O8 Tm
• SMILES: [Tm]12([O]=C(O[Tm]3([O]=C(O2)c2ccncc2)([OH2])([O]=C(c2ccncc2)[O]3)[OH2])c2ccncc2)([OH2])(OC(=O)c2ccncc2)([O]C(=[O]1)c1ccncc1)(OC(=O)c1ccncc1)[OH2]
• Title of publication: <i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')thulium(III)]-μ-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>']
• Authors of publication: Guo-Ming Wang; Zeng-Xin Li; Shu-Yun Xue; Chun-Sheng Duan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1125 - m1127
• a: 20.213 ± 0.0003 Å
• b: 11.512 ± 0.0006 Å
• c: 9.783 ± 0.0002 Å
• α: 90°
• β: 115.72 ± 0.005°
• γ: 90°
• Cell volume: 2050.89 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes