Information card for entry 4343533

Structure parameters

• Formula: C32 H35 Cl3 O3 P Re
• Calculated formula: C32 H35 Cl3 O3 P Re
• Title of publication: Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)].
• Authors of publication: Abramov, Pavel A.; Gritsan, Nina P.; Suturina, Elizaveta A.; Bogomyakov, Artem S.; Sokolov, Maxim N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6727 - 6735
• a: 9.506 ± 0.0003 Å
• b: 17.3013 ± 0.0007 Å
• c: 19.4327 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No