Information card for entry 4317480

Structure parameters

• Formula: C35 H40 Cl3 Cu2 F N6 O16
• Calculated formula: C35 H40 Cl3 Cu2 F N6 O16
• Title of publication: Dicopper(II) Complexes of H-BPMP-Type Ligands: pH-Induced Changes of Redox, Spectroscopic (19F NMR Studies of Fluorinated Complexes), Structural Properties, and Catecholase Activities
• Authors of publication: C. Belle; C. Beguin; I. Gautier-Luneau; S. Hamman; C. Philouze; J. L. Pierre; F. Thomas; S. Torelli; E. Saint-Aman; M. Bonin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 479 - 491
• a: 12.569 ± 0.006 Å
• b: 18.423 ± 0.009 Å
• c: 18.919 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4381 ± 4 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections: 1.971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.971
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No