Information card for entry 4332285

Structure parameters

• Formula: C60 H60 Cl28 Cu N4 O12 S2
• Calculated formula: C60 H24 Cl28 Cu N4 O12 S2
• Title of publication: Coordination Capabilities of a Novel Organic Polychlorotriphenylmethyl Monosulfonate Radical
• Authors of publication: Ribas, Xavi; Maspoch, Daniel; Wurst, Klaus; Veciana, Jaume; Rovira, Concepció
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5383 - 5392
• a: 8.76 ± 0.003 Å
• b: 15.449 ± 0.006 Å
• c: 16.617 ± 0.005 Å
• α: 84.77 ± 0.02°
• β: 83.07 ± 0.02°
• γ: 82.44 ± 0.01°
• Cell volume: 2206.5 ± 1.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No