Information card for entry 7007752

Structure parameters

• Common name: mer-tricarbonyl-(dimethylsulfoxide,O)-bis(pyridine)- rhenium(i) triflate
• Chemical name: mer-tricarbonyl-(dimethylsulfoxide,O)-bis(pyridine)-rhenium(I) triflate
• Formula: C16 H16 F3 N2 O7 Re S2
• Calculated formula: C16 H16 F3 N2 O7 Re S2
• SMILES: [Re](C#[O])(C#[O])(C#[O])([n]1ccccc1)([n]1ccccc1)[O]=S(C)C.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: 12.511 ± 0.003 Å
• b: 14.814 ± 0.003 Å
• c: 24.505 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4541.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No