Information card for entry 7011584

Structure parameters

• Common name: Co(oda)(bipy)(H2O).1.5H2O
• Formula: C14 H19 Co N2 O8.5
• Calculated formula: C14 H19 Co N2 O8.5
• SMILES: [Co]123(OC(=O)C[O]2CC(=O)O1)([OH2])[n]1ccccc1c1[n]3cccc1.O.O.O
• Title of publication: Synthesis and molecular structure of oxydiacetate complexes of nickel(II) and cobalt(II). Theoretical analysis of the planar and non-planar conformations of oxydiacetate ligand and oxydiacetic acid
• Authors of publication: Abdessamad Grirrane; Antonio Pastor; Andrea Ienco; Carlo Mealli; Agustín Galindo
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 3771 - 3777
• a: 13.646 ± 0.006 Å
• b: 47.908 ± 0.009 Å
• c: 10.752 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7029 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No