Information card for entry 1556691

Structure parameters

• Common name: (HNEt3)[(pydicOMe2)CuCl3]
• Chemical name: Triethylammonium (Pyridine-2,6-dicarboxyl-dimethyl) trichlorido cuprate
• Formula: C15 H25 Cl3 Cu N2 O4
• Calculated formula: C15 H25 Cl3 Cu N2 O4
• SMILES: [Cu](Cl)(Cl)(Cl)[n]1c(C(=O)OC)cccc1C(=O)OC.[NH+](CC)(CC)CC
• 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: 7.706 ± 0.005 Å
• b: 10.274 ± 0.005 Å
• c: 13.666 ± 0.005 Å
• α: 93.846 ± 0.005°
• β: 92.271 ± 0.005°
• γ: 107.216 ± 0.005°
• Cell volume: 1029.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1467
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.684
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No