Information card for entry 7054893

Structure parameters

• Formula: C19 H16 Br N2 O7 Re
• Calculated formula: C19 H16 Br N2 O7 Re
• Title of publication: Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(i) core
• Authors of publication: Carreño, Alexander; Gacitua, Manuel; Schott, Eduardo; Zarate, Ximena; Manriquez, Juan Manuel; Preite, Marcelo; Ladeira, Sonia; Castel, Annie; Pizarro, Nancy; Vega, Andrés; Chavez, Ivonne; Arratia-Perez, Ramiro
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5725
• a: 6.4256 ± 0.0002 Å
• b: 12.2609 ± 0.0004 Å
• c: 13.0947 ± 0.0005 Å
• α: 94.561 ± 0.002°
• β: 101.729 ± 0.002°
• γ: 94.97 ± 0.002°
• Cell volume: 1001.31 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No