Information card for entry 4308264

Structure parameters

• Common name: Tc(PhCONCSNPh2)3
• Chemical name: Tris(N-benzoyl-N',N'-diphenylthioureato_O,S)technetium(III) x MeOH
• Formula: C61 H49 Cl0 N6 O4 S3 Tc
• Calculated formula: C61 H49 N6 O4 S3 Tc
• Title of publication: Rhenium and Technetium Complexes with N,N-Dialkyl-N'-benzoylthioureas
• Authors of publication: Nguyen Hung Huy; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5310 - 5319
• a: 12.999 ± 0.001 Å
• b: 13.635 ± 0.001 Å
• c: 16.615 ± 0.002 Å
• α: 93.08 ± 0.01°
• β: 106.8 ± 0.01°
• γ: 95.57 ± 0.01°
• Cell volume: 2795.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1291
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No