Information card for entry 4308997

Structure parameters

• Formula: C32 H48 F6 N2 O2 P3 Re
• Calculated formula: C32 H48 F6 N2 O2 P3 Re
• SMILES: C1(=CC(C)=[N]2CC[N]3[Re]2(O1)([P](c1ccccc1)(CC)CC)(OC(=CC=3C)C)[P](c1ccccc1)(CC)CC)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions
• Authors of publication: Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2381 - 2390
• a: 10.4753 ± 0.0006 Å
• b: 18.4315 ± 0.001 Å
• c: 18.9245 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3653.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No