Information card for entry 4077571

Structure parameters

• Formula: C50 H31 B F24 O14 P2 Re2
• Calculated formula: C50 H31 B F24 O14 P2 Re2
• SMILES: [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C1C2(CO[P](O1)(OC2)[Re]([H][Re](C#[O])(C#[O])(C#[O])(C#[O])[P]12OCC(CO1)(CO2)C)(C#[O])(C#[O])(C#[O])C#[O])C
• 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: 19.707 ± 0.001 Å
• b: 16.5848 ± 0.0008 Å
• c: 18.5384 ± 0.001 Å
• α: 90°
• β: 94.6 ± 0.001°
• γ: 90°
• Cell volume: 6039.5 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.408
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No