Information card for entry 4338057

Structure parameters

• Formula: C18 H24 Br3 N7
• Calculated formula: C18 H24 Br3 N7
• SMILES: C(N(Cn1c(c(c(C)n1)Br)C)Cn1c(c(c(C)n1)Br)C)n1c(c(c(C)n1)Br)C
• 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: 14.6993 ± 0.0009 Å
• b: 14.6993 ± 0.0009 Å
• c: 19.4361 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3636.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No