Information card for entry 4316368

Structure parameters

• Formula: C35 H35 Cl2 Cu2 F2 N7 O10
• Calculated formula: C35 H35 Cl2 Cu2 F2 N7 O10
• Title of publication: Separation of Geometric Isomers of a Dicopper Complex by Using a 19F-Labeled Ligand: Dynamics, Structures, and DFT Calculations
• Authors of publication: Stéphanie Durot; Laila H. Hossain; Sylvain Hamman; Hélène Jamet; Maylis Orio; Isabelle Gautier-Luneau; Dominique Luneau; Christian Philouze; Jean-Louis Pierre; Catherine Belle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7832 - 7840
• a: 9.871 ± 0.002 Å
• b: 12.021 ± 0.002 Å
• c: 17.34 ± 0.004 Å
• α: 104.82 ± 0.01°
• β: 100.22 ± 0.02°
• γ: 92.55 ± 0.02°
• Cell volume: 1948.8 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections: 1.689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No