Information card for entry 4308262

Structure parameters

• Common name: Re2O3(PhCONCSCEt2)4
• Chemical name: mu-oxo{bis(N-benzoyl-N'N'-diethylthioureato)oxorhenium(V)}
• Formula: C48 H60 N8 O7 Re2 S4
• Calculated formula: C48 H60 N8 O7 Re2 S4
• SMILES: [Re]12(=O)(O[Re]34(=O)([S]=C(N=C(O3)c3ccccc3)N(CC)CC)[S]=C(N=C(O4)c3ccccc3)N(CC)CC)([S]=C(N=C(O1)c1ccccc1)N(CC)CC)[S]=C(N=C(O2)c1ccccc1)N(CC)CC
• 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: 20.955 ± 0.009 Å
• b: 15.933 ± 0.009 Å
• c: 16.66 ± 0.01 Å
• α: 90°
• β: 108.5 ± 0.05°
• γ: 90°
• Cell volume: 5275 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No