Information card for entry 7012982

Structure parameters

• Formula: C82 H69 B O2 P3 Re
• Calculated formula: C82 H69 B O2 P3 Re
• SMILES: [Re]12([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])=C=C=C(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nucleophilic addition of phosphines to rhenium allenylidenes. Unprecedented double P‒H bond activation to give an η1-P-phospha-1-butadienyl ligand
• Authors of publication: Maurizio Peruzzini; Pierluigi Barbaro; Valerio Bertolasi; Claudio Bianchini; Isaac de los Rios; Nicoletta Mantovani; Lorenza Marvelli; Roberto Rossi
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 21
• Pages of publication: 4121 - 4131
• a: 12.203 ± 0.0002 Å
• b: 16.7569 ± 0.0003 Å
• c: 19.3716 ± 0.0005 Å
• α: 113.43 ± 0.001°
• β: 105.697 ± 0.001°
• γ: 93.961 ± 0.001°
• Cell volume: 3428.34 ± 0.13 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0734
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No