Information card for entry 4327220

Structure parameters

• Formula: C108 H104 Cl4 Cu2 F12 N12 O2 P2
• Calculated formula: C108 H104 Cl4 Cu2 N12 O2
• SMILES: c12[n](c(c(n1C)c1ccccc1)c1ccccc1)[Cu]1[n]3c(C2c2[n](c(c(c4ccccc4)n2C)c2ccccc2)[Cu]2[n]4c(n(c(c4c4ccccc4)c4ccccc4)C)C(c4[n]2c(c(c2ccccc2)n4C)c2ccccc2)c2[n]1c(c(c1ccccc1)n2C)c1ccccc1)n(c(c3c1ccccc1)c1ccccc1)C.CCOCC.ClCCl.C(Cl)Cl.CCOCC
• 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: 14.2688 ± 0.0018 Å
• b: 14.304 ± 0.0018 Å
• c: 14.8469 ± 0.0019 Å
• α: 65.39 ± 0.002°
• β: 65.275 ± 0.002°
• γ: 74.127 ± 0.002°
• Cell volume: 2484.3 ± 0.5 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: 0.1042
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.2652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No