Information card for entry 1559879

Structure parameters

• Chemical name: tetrakis(aqua)-bis(formato)-cobalt [3,3'-bipyridine]-6,6'(1H,1'H)-dione
• Formula: C12 H18 Co N2 O10
• Calculated formula: C12 H18 Co N2 O10
• SMILES: c1(=O)ccc(c[nH]1)c1ccc(=O)[nH]c1.C(=O)O[Co]([OH2])([OH2])(OC=O)([OH2])[OH2]
• Title of publication: Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1'H-[3,3']bipyridinyl-6,6'-dione
• Authors of publication: Mohan, Midhun; Rana, Love Karan; Maris, Thierry; Duong, Adam
• Journal of publication: Canadian Journal of Chemistry
• Year of publication: 2020
• Journal volume: 98
• Pages of publication: 347 - 351
• a: 25.6206 ± 0.0005 Å
• b: 6.7854 ± 0.0001 Å
• c: 9.7945 ± 0.0002 Å
• α: 90°
• β: 109.419 ± 0.001°
• γ: 90°
• Cell volume: 1605.87 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes