Information card for entry 4304773

Structure parameters

• Common name: [{ReOCl(Et2tcbPy)}2O]
• Chemical name: mu-Oxobis[chloro(N-(N',N'-diethylaminothiocarbonyl) -N'-picolylbenzamidinato)oxorhenium(V)]
• Formula: C36 H42 Cl2 N8 O3 P0 Re2 S2
• Calculated formula: C36 H42 Cl2 N8 O3 Re2 S2
• SMILES: C1(=NC(=[N]2[Re](S1)(=O)(O[Re]13(Cl)([N](=C(N=C(N(CC)CC)S1)c1ccccc1)Cc1cccc[n]31)=O)(Cl)[n]1c(C2)cccc1)c1ccccc1)N(CC)CC
• Title of publication: Rhenium and Technetium Complexes with Tridentate N-[(N",N"-Dialkylamino)(thiocarbonyl)]-N'-substituted Benzamidine Ligands
• Authors of publication: Nguyen Hung Huy; Jacqueline Grewe; Jennifer Schroer; Bernd Kuhn; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5136 - 5144
• a: 10.0027 ± 0.001 Å
• b: 10.63 ± 0.001 Å
• c: 19.441 ± 0.002 Å
• α: 90°
• β: 99.538 ± 0.01°
• γ: 90°
• Cell volume: 2038.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No