Information card for entry 2213843

Structure parameters

• Chemical name: (R)-1-Phenylethylaminium μ-oxalato-κ^4^O,O':O''O'''-bis[diaqua(oxalato-κ^2^O,O')cobalt(II)]
• Formula: C22 H32 Co2 N2 O16
• Calculated formula: C22 H32 Co2 N2 O16
• SMILES: C12C(=[O][Co]3(O1)(OC(=O)C(=O)O3)([OH2])[OH2])O[Co]1([O]=2)(OC(=O)C(=O)O1)([OH2])[OH2].c1ccccc1[C@H]([NH3+])C.c1ccccc1[C@H]([NH3+])C
• Title of publication: Bis[(<i>R</i>)-1-phenylethylaminium] μ-oxalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>''<i>O</i>'''-bis[diaqua(oxalato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)]
• Authors of publication: Xin Yang; Jiang Li; Hai-Wen Wang; Xin-Hua Zhao; Yong-Kui Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1554 - m1554
• a: 10.973 ± 0.002 Å
• b: 7.556 ± 0.0015 Å
• c: 17.067 ± 0.003 Å
• α: 90°
• β: 90.33 ± 0.03°
• γ: 90°
• Cell volume: 1415 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes