Information card for entry 7214788

Structure parameters

• Chemical name: benzoylacetonatonitratobis(morpholine)copper(II)
• Formula: C18 H27 Cu N3 O7
• Calculated formula: C18 H27 Cu N3 O7
• SMILES: [Cu]1(OC(=CC(=[O]1)C)c1ccccc1)([NH]1CCOCC1)(ON(=O)=O)[NH]1CCOCC1
• 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: 13.5493 ± 0.0006 Å
• b: 11.3606 ± 0.0004 Å
• c: 13.7432 ± 0.0006 Å
• α: 90°
• β: 92.171 ± 0.004°
• γ: 90°
• Cell volume: 2113.95 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No