Information card for entry 7107095

Structure parameters

• Formula: C22.5 H21 Cl F3 N2 O8 Re S
• Calculated formula: C22.5 H21 Cl F3 N2 O8 Re S
• 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: 21.04 ± 0.013 Å
• b: 19.262 ± 0.012 Å
• c: 14.903 ± 0.009 Å
• α: 90°
• β: 109.33 ± 0.008°
• γ: 90°
• Cell volume: 5699 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No