Information card for entry 2211793

Structure parameters

• Chemical name: poly[[[bis[methanolcadmium(II)]-μ~2~-aqua]-bis(μ~3~- pyridine-2,6-dicarboxylato-κ^5^O:O,N,O':O')]
• Formula: C16 H16 Cd2 N2 O11
• Calculated formula: C16 H16 Cd2 N2 O11
• SMILES: [Cd]12345([O](C(=O)c6[n]3c(C(=O)[O]1[Cd]13(OC(=O)c7[n]3c(C(=O)[O]41)ccc7)[OH]C)ccc6)[Cd]134([OH2]2)([O]5C(=O)c2[n]3c(C(=O)[O]1[Cd]13(OC(=O)c5[n]3c(C(=O)[O]41)ccc5)([OH]C)[OH2])ccc2)[OH]C)[OH]C
• Title of publication: A one-dimensional Cd^II^ coordination polymer: poly[[[bis[methanolcadmium(II)]-μ~2~-aqua]-bis(μ~3~-pyridine-2,6-dicarboxylato-κ^5^<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>')]
• Authors of publication: Wu, Hui-Fang; Chen, Xu-Dong; Du, Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m126 - m128
• a: 7.8099 ± 0.0011 Å
• b: 19.18 ± 0.003 Å
• c: 13.4279 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2011.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes