Information card for entry 4338059

Structure parameters

• Formula: C87 H138 Cl6 Cu4 F24 N28 P4
• Calculated formula: C87 H138 Cl6 Cu4 F24 N28 P4
• SMILES: [Cu]12[n]3n(CN(Cn4[n]1c(c(c4C)C)C)Cn1[n]([Cu]4[n]5n(CN(Cn6[n]4c(c(c6C)C)C)Cn4[n]([Cu]6[n]7n(CN(Cn8[n]6c(c(c8C)C)C)Cn6[n]([Cu]8[n]9n(CN(Cn%10[n]8c(c(c%10C)C)C)Cn8[n]2c(c(c8C)C)C)c(c(c9C)C)C)c(c(c6C)C)C)c(c(c7C)C)C)c(c(c4C)C)C)c(c(c5C)C)C)c(c(c1C)C)C)c(c(c3C)C)C.ClCCl.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.
• Authors of publication: Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4192 - 4201
• a: 16.4932 ± 0.0014 Å
• b: 17.2851 ± 0.0013 Å
• c: 24.641 ± 0.002 Å
• α: 78.537 ± 0.003°
• β: 74.054 ± 0.002°
• γ: 71.455 ± 0.003°
• Cell volume: 6355.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No