Information card for entry 7214787

Structure parameters

• Chemical name: benzoylacetonatochlorobis(morpholine)copper(II)
• Formula: C18 H29 Cl Cu N2 O5
• Calculated formula: C18 H29 Cl Cu N2 O5
• SMILES: [Cu]1(Cl)([O]=C(c2ccccc2)C=C(O1)C)([NH]1CCOCC1)[NH]1CCOCC1.O
• 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: 6.8963 ± 0.0002 Å
• b: 11.7384 ± 0.0003 Å
• c: 13.5638 ± 0.0003 Å
• α: 82.211 ± 0.002°
• β: 84.292 ± 0.005°
• γ: 73.527 ± 0.003°
• Cell volume: 1041.07 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No