Information card for entry 4333404

Structure parameters

• Formula: C31 H39 Cu2 I2 N3 S3
• Calculated formula: C31 H39 Cu2 I2 N3 S3
• Title of publication: Electrochemical Behavior of an Aminotrithioether Ligand: Copper(II)-Mediated Oxidative C−C Bond Formation
• Authors of publication: Huerta, Raúl; Flores-Figueroa, Aarón; Ugalde-Saldívar, Víctor M.; Castillo, Ivan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9510 - 9512
• a: 10.686 ± 0.002 Å
• b: 13.399 ± 0.003 Å
• c: 14.177 ± 0.003 Å
• α: 84.473 ± 0.003°
• β: 68.2 ± 0.003°
• γ: 73.74 ± 0.003°
• Cell volume: 1809.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No