Information card for entry 4301764

Structure parameters

• Common name: [NEt4]2[Cu(emi)]
• Formula: C18 H38 Cu0.5 N3 O4 S2
• Calculated formula: C19.28 H39.28 Cu0.5 N3 O4 S2
• 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: 8.021 ± 0.002 Å
• b: 21.893 ± 0.006 Å
• c: 19.809 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3478.5 ± 1.7 ų
• Cell temperature: 60 ± 2 K
• Ambient diffraction temperature: 60 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No