Information card for entry 7214786

Structure parameters

• Chemical name: acetylacetonatochlorobis(morpholine)copper(II)
• Formula: C13 H25 Cl Cu N2 O4
• Calculated formula: C13 H25 Cl Cu N2 O4
• SMILES: [Cu]1(Cl)([NH]2CCOCC2)([NH]2CCOCC2)OC(=CC(=[O]1)C)C
• 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: 18.7558 ± 0.0011 Å
• b: 10.1597 ± 0.0004 Å
• c: 18.8355 ± 0.0012 Å
• α: 90°
• β: 104.734 ± 0.006°
• γ: 90°
• Cell volume: 3471.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No