Information card for entry 7107093

Structure parameters

• Formula: C31 H26 F3 N O8 P Re S
• Calculated formula: C31 H26 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].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 10.435 ± 0.005 Å
• b: 10.745 ± 0.005 Å
• c: 17.496 ± 0.009 Å
• α: 72.785 ± 0.008°
• β: 89.968 ± 0.008°
• γ: 63.12 ± 0.007°
• Cell volume: 1650.8 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0294
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No