Information card for entry 7113156

Structure parameters

• Common name: (Cu2(l)2)(PF6)2.3MeCN
• Formula: C42 H41 Cu2 F12 N15 P2 S4
• Calculated formula: C38 H35 Cu2 F12 N13 P2 S4
• Title of publication: Metal-specific allosteric activation and deactivation of a diamine
• Authors of publication: Clayton, Hayley J.; Harding, Lindsay P.; Irvine, John P.; Jeffery, John C.; Riis-Johannessen, T.; Laws, Andrew P.; Rice, Craig R.; Whitehead, Martina
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 108 - 110
• a: 12.1593 ± 0.0002 Å
• b: 36.2844 ± 0.0007 Å
• c: 12.3673 ± 0.0003 Å
• α: 90°
• β: 103.137 ± 0.001°
• γ: 90°
• Cell volume: 5313.57 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7102777
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No