Information card for entry 1556693

Structure parameters

• Common name: pydicOIPh
• Chemical name: Bis(2-iodophenyl)pyridine-2,6-dicarboxylate
• Formula: C19 H11 I2 N O4
• Calculated formula: C19 H11 I2 N O4
• SMILES: Ic1c(OC(=O)c2nc(ccc2)C(=O)Oc2ccccc2I)cccc1
• Title of publication: Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes
• Authors of publication: Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 53
• a: 13.52 ± 0.005 Å
• b: 14.455 ± 0.005 Å
• c: 19.496 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3810 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No