Information card for entry 7011583

Structure parameters

• Common name: Ni(oda)(bipy)(H2O).1.5H2O
• Formula: C14 H19 N2 Ni O8.5
• Calculated formula: C14 H19 N2 Ni O8.5
• SMILES: [Ni]123([n]4c(c5[n]1cccc5)cccc4)(OC(=O)C[O]3CC(=O)O2)[OH2].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: 13.56 ± 0.005 Å
• b: 47.533 ± 0.005 Å
• c: 10.781 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6949 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No