Information card for entry 4321727

Structure parameters

• Formula: C76 H46 B Cl F24 O10 P2 Re2
• Calculated formula: C76 H42 B Cl F24 O10 P2 Re2
• SMILES: [Re]([Cl][Re]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].[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.O.O
• Title of publication: Rhenium Complexes with Weakly Coordinating Solvent Ligands, cis-[Re(PR3)(CO)4(L)][BArF], L = CH2Cl2, Et2O, NC5F5: Decomposition to Chloride-Bridged Dimers in CH2Cl2 Solution
• Authors of publication: Jean Huhmann-Vincent; Brian L. Scott; Gregory J. Kubas
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 115 - 124
• a: 13.048 ± 0.002 Å
• b: 16.348 ± 0.002 Å
• c: 19.496 ± 0.004 Å
• α: 92.52 ± 0.01°
• β: 96.58 ± 0.01°
• γ: 100.24 ± 0.01°
• Cell volume: 4056.7 ± 1.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections: 0.1715
• Weighted residual factors for significantly intense reflections: 0.1483
• Goodness-of-fit parameter for all reflections: 1.179
• Goodness-of-fit parameter for significantly intense reflections: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No