Information card for entry 4304769

Structure parameters

• Common name: [{ReOCl(Et2tcbPhCOO)}2]
• Chemical name: Bis(2-{E-[Z-(diethylamino)sulfido-kS-methylenamino][phenyl]- methylenamino-kN}-μ-benzoat-kO:kO')bis(chloridooxidorhenium(V)
• Formula: C38 H38 Cl2 N6 O6 Re2 S2
• Calculated formula: C38 H38 Cl2 N6 O6 Re2 S2
• SMILES: C1(=NC(=[N]2[Re]3(Cl)(S1)(=O)[O]=C(c1c2cccc1)O[Re]12(Cl)([N](=C(N=C(N(CC)CC)S1)c1ccccc1)c1ccccc1C(=[O]2)O3)=O)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: 8.8646 ± 0.001 Å
• b: 13.7044 ± 0.001 Å
• c: 16.2299 ± 0.001 Å
• α: 90°
• β: 90.915 ± 0.01°
• γ: 90°
• Cell volume: 1971.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No