Information card for entry 7107094

Structure parameters

• Formula: C32 H28 Cl2 F3 N O8 P Re S
• Calculated formula: C32 H28 Cl2 F3 N O8 P Re S
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccccc2C([OH]1)CC(=O)C)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
• Title of publication: pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes
• Authors of publication: Celedonio Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12765
• a: 16.0976 ± 0.0019 Å
• b: 11.2626 ± 0.0014 Å
• c: 19.588 ± 0.002 Å
• α: 90°
• β: 96.309 ± 0.002°
• γ: 90°
• Cell volume: 3529.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No