Information card for entry 7214794

Structure parameters

• Chemical name: 1,1,1-trifluoroacetylacetonatochlorobis(morpholine)copper(II) - morpholine solvate
• Formula: C17 H31 Cl Cu F3 N3 O5
• Calculated formula: C17 H31 Cl Cu F3 N3 O5
• SMILES: [Cu]1(Cl)([NH]2CCOCC2)([NH]2CCOCC2)OC(=CC(=[O]1)C)C(F)(F)F.N1CCOCC1
• Title of publication: Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests
• Authors of publication: Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7493
• a: 10.2419 ± 0.0007 Å
• b: 13.1084 ± 0.0011 Å
• c: 16.9868 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2280.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No