Information card for entry 4326486

Structure parameters

• Formula: C24 H44 Cu N2 O2
• Calculated formula: C24 H44 Cu N2 O2
• Title of publication: Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes
• Authors of publication: Pratik Verma; John Weir; Liviu Mirica; T. Daniel P. Stack
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9816 - 9825
• a: 13.038 ± 0.001 Å
• b: 9.469 ± 0.001 Å
• c: 20.583 ± 0.001 Å
• α: 90 ± 0.001°
• β: 102.785 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2478.1 ± 0.3 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 5
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No