Information card for entry 1551564

Structure parameters

• Formula: C34 H31 Cl3 Cu2 N4 O6
• Calculated formula: C34 H31 Cl3 Cu2 N4 O6
• SMILES: c12c(cc(cc1)Cl)C=[N]1CC[N]34[Cu]1(O2)([O]1[Cu]25[N](=C3c3c1ccc(c3)Cl)(CC4)CC[N]2=Cc1c(O5)ccc(Cl)c1)OC(=O)c1ccccc1.O
• Title of publication: μ-Phenolato-μ-benzoato-bridged Dinuclear Copper(II) Cluster with a Ferromagnetic Coupling
• Authors of publication: MIKURIYA, Masahiro; SATO, Yuya; YOSHIOKA, Daisuke
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2018
• Journal volume: 34
• Journal issue: 0
• Pages of publication: 51
• a: 26.016 ± 0.007 Å
• b: 15.634 ± 0.004 Å
• c: 18.36 ± 0.005 Å
• α: 90°
• β: 109.073 ± 0.003°
• γ: 90°
• Cell volume: 7058 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No