Information card for entry 7007750

Structure parameters

• Common name: mer-tricarbonyl-(dimethylsulfoxide,O)-(2,2'-bipyridine)- rhenium(i) triflate
• Chemical name: mer-tricarbonyl-(dimethylsulfoxide,O)-(2,2'-bipyridine)-rhenium(I) triflate
• Formula: C16 H14 F3 N2 O7 Re S2
• Calculated formula: C16 H14 F3 N2 O7 Re S2
• SMILES: [Re]1([O]=S(C)C)(C#[O])(C#[O])(C#[O])[n]2ccccc2c2[n]1cccc2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.
• Authors of publication: Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 42
• Pages of publication: 5033 - 5045
• a: 6.585 ± 0.003 Å
• b: 12.714 ± 0.004 Å
• c: 12.994 ± 0.003 Å
• α: 79.43 ± 0.02°
• β: 80.06 ± 0.03°
• γ: 86.72 ± 0.03°
• Cell volume: 1053 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No