Information card for entry 4304071

Structure parameters

• Formula: C30 H34 Cl4 Cu2 N2 O6
• Calculated formula: C30 H34 Cl4 Cu2 N2 O6
• SMILES: [Cu]1(Cl)(Cl)([O]([Cu](Cl)(Cl)([O]1=n1ccc(cc1)/C=C/c1ccc(OC)cc1)[OH2])=n1ccc(cc1)/C=C/c1ccc(OC)cc1)[OH]CC
• Title of publication: X-ray Crystal Structure and Magnetic and Photophysical Properties of Novel Copper(II) N-Oxide Adduct [(4-MPyO)2(CuCl2)2(H2O)(C2H5OH)] (4-MPyO = 4-(4-Methoxystyryl)pyridine N-Oxide)
• Authors of publication: Yakov P. Nizhnik; Anna Szemik-Hojniak; Irena Deperasińska; Lucjan B. Jerzykiewicz; Maria Korabik; Marek Hojniak; Vladimir P. Andreev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2103 - 2112
• a: 13.467 ± 0.005 Å
• b: 16.005 ± 0.005 Å
• c: 14.949 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.839 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3214.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No