Information card for entry 4322898

Structure parameters

• Chemical name: [Tc2(20ane-S6-OH)(CO)6](tosylate)2 x MeOH
• Formula: C35 H46 O14 S8 Tc2
• Calculated formula: C35 H46 O14 S8 Tc2
• Title of publication: Structural and 99Tc NMR Investigations of Complexes with fac-[Tc(CO)3]+ Moieties and Macrocyclic Thioethers of Various Ring Sizes: Synthesis and X-ray Structure of the Complexes fac-[Tc(9-ane-S3)(CO)3]Br, fac-[Tc2(tosylate)2(18-ane-S6)(CO)6], and fac-[Tc2(20-ane-S6-OH)(CO)6][tosylate]2
• Authors of publication: Roger Schibli; Roger Alberto; Ulrich Abram; Sonja Abram; André Egli; P. August Schubiger; Thomas A. Kaden
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3509 - 3516
• a: 25.737 ± 0.004 Å
• b: 14.009 ± 0.001 Å
• c: 26.479 ± 0.003 Å
• α: 90°
• β: 149.56 ± 0.02°
• γ: 90°
• Cell volume: 4837 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections: 0.2239
• Weighted residual factors for significantly intense reflections: 0.1792
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No