Information card for entry 2211049

Structure parameters

• Chemical name: catena-Poly[bis(μ~2~-isonicotinato-κ^2^O:O')diaqua(isonicotinato-κ^2^O,O') erbium(III)]
• Formula: C18 H16 Er N3 O8
• Calculated formula: C18 H16 Er N3 O8
• SMILES: [Er]12([O]C(=[O]2)c2ccncc2)([OH2])([OH2])([O]=C(c2ccncc2)O[Er]2([O]=C(O1)c1ccncc1)([O]=C(O2)c1ccncc1)([OH2])[OH2])(OC(c1ccncc1)=O)OC(c1ccncc1)=O
• Title of publication: <i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>']
• Authors of publication: Guo-Ming Wang; Chun-Sheng Duan; Zeng-Xin Li; Shu-Yun Xue; Qiang Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3080 - m3082
• a: 15.769 ± 0.0005 Å
• b: 14.066 ± 0.0002 Å
• c: 9.5009 ± 0.0004 Å
• α: 90°
• β: 98.06 ± 0.003°
• γ: 90°
• Cell volume: 2086.55 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0241
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes