Information card for entry 4338056

Structure parameters

• Formula: C12 H6 Br9 N7
• Calculated formula: C12 H6 Br9 N7
• SMILES: N(Cn1c(c(c(n1)Br)Br)Br)(Cn1c(c(c(n1)Br)Br)Br)Cn1nc(c(c1Br)Br)Br
• 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: 23.5567 ± 0.001 Å
• b: 13.7634 ± 0.001 Å
• c: 13.9797 ± 0.0007 Å
• α: 90°
• β: 95.895 ± 0.002°
• γ: 90°
• Cell volume: 4508.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No