Information card for entry 7214792

Structure parameters

• Chemical name: (1,3-diphenyl-1,3-propanedionato)chlorobis(morpholine)copper(II) - morpholinium chloride morpholine solvate hydrate
• Formula: C74 H126 Cl3 Cu2 N11 O17
• Calculated formula: C74 H118 Cl3 Cu2 N11 O17
• 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: 15.888 ± 0.005 Å
• b: 16.7 ± 0.003 Å
• c: 17.261 ± 0.013 Å
• α: 90°
• β: 113.85 ± 0.06°
• γ: 90°
• Cell volume: 4189 ± 4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No