Information card for entry 4331230

Structure parameters

• Formula: C27 H18 F3 N O4 P Re
• Calculated formula: C27 H18 F3 N O4 P Re
• Title of publication: Mechanism of CO Displacement from an Unusually Labile Rhenium Complex: An Experimental and Theoretical Investigation
• Authors of publication: Sohail Muhammad; Veeranna Yempally; Muhammad Anas; Salvador Moncho; Samuel J. Kyran; Edward N. Brothers; Donald J. Darensbourg; Ashfaq A. Bengali
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13041 - 13049
• a: 8.371 ± 0.005 Å
• b: 10.521 ± 0.006 Å
• c: 15.495 ± 0.009 Å
• α: 80.378 ± 0.006°
• β: 86.014 ± 0.006°
• γ: 70.116 ± 0.006°
• Cell volume: 1265.1 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No