Information card for entry 4327223

Structure parameters

• Formula: C118 H123 Cl4 Cu3 F18 N14 O4.5 P3
• Calculated formula: C116 H119 Cu3 F17.997 N14 O4.5 P2.9995
• 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: 18.605 ± 0.004 Å
• b: 23.695 ± 0.006 Å
• c: 29.271 ± 0.007 Å
• α: 73.48 ± 0.008°
• β: 81.182 ± 0.008°
• γ: 89.827 ± 0.008°
• Cell volume: 12214 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No