Information card for entry 4316716

Structure parameters

• Formula: C33 H54 B Cu F4 N8 Se
• Calculated formula: C33 H54 B Cu F4 N8 Se
• SMILES: [Cu]12([Se]=c3n(C)ccn3C)[n]3n(c(cc3C(C)C)C(C)C)C(n3[n]2c(C(C)C)cc3C(C)C)n2[n]1c(C(C)C)cc2C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Probing the Antioxidant Action of Selenium and Sulfur Using Cu(I)-Chalcogenone Tris(pyrazolyl)methane and -borate Complexes
• Authors of publication: Martin M. Kimani; Julia L. Brumaghim; Don VanDerveer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9200 - 9211
• a: 23.822 ± 0.005 Å
• b: 16.733 ± 0.003 Å
• c: 19.931 ± 0.004 Å
• α: 90°
• β: 100.04 ± 0.03°
• γ: 90°
• Cell volume: 7823 ± 3 ų
• Cell temperature: 168.15 K
• Ambient diffraction temperature: 168.15 K
• Number of distinct elements: 7
• 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: 0.1023
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No