Information card for entry 7105131

Structure parameters

• Formula: C43 H33 B Cu F20 N3 S
• Calculated formula: C43 H33 B Cu F20 N3 S
• Title of publication: Thioether S-ligation in a side-on micro-eta2:eta2-peroxodicopperii complex.
• Authors of publication: Park, Ga Young; Lee, Yunho; Lee, Dong-Heon; Woertink, Julia S; Narducci Sarjeant, Amy A; Solomon, Edward I; Karlin, Kenneth D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 91 - 93
• a: 20.3371 ± 0.0004 Å
• b: 16.492 ± 0.0003 Å
• c: 26.8598 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9008.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No