Information card for entry 4318435

Structure parameters

• Formula: C49 H28 B F24 N2 O4 Re
• Calculated formula: C49 H28 B F24 N2 O4 Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])[O]1CCCC1.[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
• Title of publication: New Synthetic Routes to Cationic Rhenium Tricarbonyl Bipyridine Complexes with Labile Ligands
• Authors of publication: Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel; Scott Kassel; Arnold Rheinghold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4673 - 4679
• a: 16.849 ± 0.004 Å
• b: 16.734 ± 0.004 Å
• c: 18.467 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5207 ± 2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No