Information card for entry 2021636

Structure parameters

• Chemical name: 4,4'-Bipyridine-1,1'-diium diaquabis(μ~2~-pyridine-2,6-dicarboxylato)tetrakis(pyridine-2,6-dicarboxylato)bis[4-(pyridin-4-yl)pyridinium]cobalt(II)dieuropium(III) octahydrate
• Formula: C72 H82 Co Eu2 N12 O42
• Calculated formula: C72 H82 Co Eu2 N12 O42
• SMILES: [Eu]123456(OC(=O)c7[n]4c(ccc7)C(=O)O1)(OC(=O)c1[n]6c(ccc1)C(=O)O2)OC(=O)c1[n]5c(ccc1)C(=[O]3)O[Co]([OH2])(OC1=[O][Eu]23456(OC(=O)c7[n]4c(ccc7)C(=O)O2)(OC(=O)c2[n]6c(ccc2)C(=O)O3)OC(=O)c2[n]5c1ccc2)([OH2])([n]1ccc(cc1)c1cc[nH+]cc1)[n]1ccc(cc1)c1cc[nH+]cc1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: Synthesis and characterization of two isostructural 3<i>d</i>‒4<i>f</i> coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine
• Authors of publication: Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 11.9021 ± 0.0019 Å
• b: 12.68 ± 0.002 Å
• c: 14.867 ± 0.002 Å
• α: 98.597 ± 0.002°
• β: 99.6 ± 0.002°
• γ: 102.882 ± 0.002°
• Cell volume: 2115.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes