Information card for entry 7028732

Structure parameters

• Formula: C44 H41 Br2 N O1.5 P2 Re
• Calculated formula: C44 H40 Br2 N O1.5 P2 Re
• Title of publication: p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.
• Authors of publication: Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2596 - 2610
• a: 10.5826 ± 0.0005 Å
• b: 13.5937 ± 0.0006 Å
• c: 14.4529 ± 0.0005 Å
• α: 87.048 ± 0.003°
• β: 88.44 ± 0.004°
• γ: 81.771 ± 0.004°
• Cell volume: 2054.59 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No