Information card for entry 2215880

Structure parameters

• Chemical name: 4,4'-(Ethane-1,2-diyl)dipyridinium di-μ-citrato-bis[aquacobaltate(II)]
• Formula: C24 H26 Co2 N2 O16
• Calculated formula: C24 H26 Co2 N2 O16
• SMILES: c1cc(cc[nH+]1)CCc1cc[nH+]cc1.C1(=O)CC23[O]4[Co]56(O1)([OH2])[O]1C(CC(=O)O[Co]41(OC3=O)(OC(=O)C2)[OH2])(CC(=O)O6)C(=O)O5
• Title of publication: 4,4'-(Ethane-1,2-diyl)dipyridinium di-μ-citrato-bis[aquacobaltate(II)]
• Authors of publication: Jian Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2729 - m2729
• a: 8.2975 ± 0.0006 Å
• b: 9.234 ± 0.0006 Å
• c: 9.9647 ± 0.0007 Å
• α: 65.242 ± 0.001°
• β: 72.803 ± 0.001°
• γ: 85.004 ± 0.001°
• Cell volume: 661.72 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes