Information card for entry 7034732

Structure parameters

• Formula: C32 H38 B2 Cl2 Cu2 F8 N8 S2
• Calculated formula: C32 H38 B1.999 Cl2 Cu2 F7.996 N8 S2
• Title of publication: Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.
• Authors of publication: Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12196 - 12209
• a: 12.4006 ± 0.0002 Å
• b: 13.1923 ± 0.0003 Å
• c: 14.4294 ± 0.0004 Å
• α: 104.022 ± 0.002°
• β: 107.238 ± 0.002°
• γ: 99.515 ± 0.0018°
• Cell volume: 2114.51 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No