Information card for entry 4319644

Structure parameters

• Formula: C32 H34 Cu N2 O4
• Calculated formula: C32 H34 Cu N2 O4
• SMILES: [Cu]12([n]3c(c4[n]1cccc4)cccc3)Oc1c(c(C3=C(C(=O)C(=O)C(=C3)C(C)(C)C)C)cc(c1O2)C(C)(C)C)C
• Title of publication: Magnetic Properties and Redox Isomerism for 4,4'-Bis(semiquinone) Complexes of Copper
• Authors of publication: G. A. Abakumov; V. K. Cherkasov; V. I. Nevodchikov; V. A. Kuropatov; G. T. Yee; C. G. Pierpont
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2434 - 2436
• a: 14.1735 ± 0.0002 Å
• b: 16.5827 ± 0.0001 Å
• c: 16.5985 ± 0.0002 Å
• α: 71.101 ± 0.001°
• β: 75.844 ± 0.001°
• γ: 68.908 ± 0.001°
• Cell volume: 3407.24 ± 0.07 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1513
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections: 0.1591
• Weighted residual factors for significantly intense reflections: 0.114
• Goodness-of-fit parameter for all reflections: 0.927
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No