Information card for entry 4301763

Structure parameters

• Common name: [Et4N]2[Cu(ema)]
• Formula: C44 H100 Cu2 N8 O8 S4
• Calculated formula: C44 H102 Cu2 N8 O8 S4
• Title of publication: Chemical Issues Addressing the Construction of the Distal Ni[Cysteine-Glycine-Cysteine]2-Site of Acetyl CoA Synthase: Why Not Copper?
• Authors of publication: Kayla N. Green; Scott M. Brothers; Boram Lee; Marcetta Y. Darensbourg; David A. Rockcliffe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2780 - 2792
• a: 12.0698 ± 0.0015 Å
• b: 14.848 ± 0.002 Å
• c: 8.2281 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1474.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No