Information card for entry 4317479

Structure parameters

• Formula: C16.5 H21 Cl1.5 Cu F1.5 N3 O9.5
• Calculated formula: C15.75 H17 Cl1.5 Cu F1.5 N3 O9.25
• 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: 16.125 ± 0.005 Å
• b: 16.553 ± 0.005 Å
• c: 16.822 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4490 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections: 1.987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No