Information card for entry 2018930

Structure parameters

• Chemical name: <i>mer</i>-μ-Oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate
• Formula: C42 H40 Cl2 Co2 N8 O4
• Calculated formula: C42 H40 Cl2 Co2 N8 O4
• SMILES: [n]1(ccccc1)[Co]1([n]2ccccc2)([O]=C2C(=[O][Co]([n]3ccccc3)([n]3ccccc3)([n]3ccccc3)(O2)Cl)O1)(Cl)[n]1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Polymorphism of <i>mer</i>-μ-oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate
• Authors of publication: Modec, Barbara
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 340 - 343
• a: 9.6402 ± 0.0007 Å
• b: 9.9899 ± 0.0007 Å
• c: 10.7775 ± 0.0007 Å
• α: 78.834 ± 0.001°
• β: 82.856 ± 0.001°
• γ: 89.704 ± 0.001°
• Cell volume: 1010.18 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes