Information card for entry 4077570

Structure parameters

• Formula: C49 H40 B F24 O10 P2 Re
• Calculated formula: C49 H40 B F24 O10 P2 Re
• SMILES: [B-](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Re]([P]12OCC(CO1)(CO2)C)([P]12OCC(CO1)(CO2)C)(C#[O])(C#[O])(C#[O])[O](CC)CC
• Title of publication: Synthesis of and Small Molecule Coordination to Highly Electrophilic Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back Phosphites
• Authors of publication: Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 4141
• a: 12.9841 ± 0.0009 Å
• b: 14.2024 ± 0.001 Å
• c: 16.3209 ± 0.0012 Å
• α: 91.325 ± 0.001°
• β: 98.447 ± 0.001°
• γ: 102.836 ± 0.002°
• Cell volume: 2897.8 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No