Information card for entry 2020101

Structure parameters

• Chemical name: Poly[[diaqua-1κ^2^<i>O</i>-tetrakis(μ~3~-pyridine-2,3-dicarboxylato)-2:1:2'κ^10^<i>N</i>,<i>O</i>^2^:O</i>^2'^,O</i>^3^:O</i>^3'^;2:1:2'κ^8^<i>O</i>^3^:O</i>^3'^:<i>N</i>,O</i>^2^-diiron(III)strontium(II)] dihydrate]
• Formula: C28 H20 Fe2 N4 O20 Sr
• Calculated formula: C28 H20 Fe2 N4 O20 Sr
• SMILES: [Sr+2].[Fe]234(OC(=O)c5[n]3cccc5C(=O)O[Fe]3OC(=O)c6[n]3cccc6C(=O)O2)(OC(=O)c2c(C(=O)[O-])nccc2)OC(=O)c2[n]4cccc2C(=O)[O-].O.O.O.O
• Title of publication: The first three-dimensional Fe^III^‒Sr^II^ heterometallic coordination polymer: poly[[diaquatetrakis(μ~3~-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]
• Authors of publication: Yang, Yongfeng; Li, Tao; Chen, Yanmei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• a: 8.1452 ± 0.0016 Å
• b: 9.6282 ± 0.0019 Å
• c: 11.736 ± 0.002 Å
• α: 105.69 ± 0.03°
• β: 98.02 ± 0.03°
• γ: 111.68 ± 0.03°
• Cell volume: 793.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No