Information card for entry 4327219

Structure parameters

• Formula: C112 H116 Cu2 F12 N16 O6 P2
• Calculated formula: C100 H84 Cu2 F12 N12 O2 P2
• Title of publication: Copper(I) Complexes of Tripodal Tris(imidazolyl) Ligands: Potential Mimics of the Cu(A) Site of Hydroxylase Enzymes
• Authors of publication: Lei Zhou; Douglas Powell; Kenneth M. Nicholas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2316 - 2321
• a: 24.282 ± 0.003 Å
• b: 15.256 ± 0.002 Å
• c: 29.836 ± 0.004 Å
• α: 90°
• β: 100.84 ± 0.006°
• γ: 90°
• Cell volume: 10855 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No