Information card for entry 2101884

Structure parameters

• Chemical name: Tetralis(μ-benzoylformato-O,O')-bis(4-picoline)dicopper(II)
• Formula: C44 H34 Cu2 N2 O12
• Calculated formula: C44 H34 Cu2 N2 O12
• SMILES: [n]1(ccc(C)cc1)[Cu]1234[O]=C(O[Cu]4([n]4ccc(C)cc4)([O]=C(C(=O)c4ccccc4)O2)(OC(C(=O)c2ccccc2)=[O]1)[O]=C(O3)C(=O)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates
• Authors of publication: Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 654 - 661
• a: 19.083 ± 0.005 Å
• b: 12.156 ± 0.004 Å
• c: 21.692 ± 0.003 Å
• α: 90°
• β: 124.26 ± 0.02°
• γ: 90°
• Cell volume: 4159 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.0528
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No