Information card for entry 4303280

Structure parameters

• Common name: [ReOCl(PhMrtcs-Et2bzm]
• Chemical name: N-(N',N'-Diethylaminothiocarbonyl)-N''-(N-1-Methyphenylamine carbothioamide)benzamidinato(chloro)oxorhenium(V)'
• Formula: C20 H23 Cl N5 O Re S2
• Calculated formula: C20 H23 Cl N5 O Re S2
• SMILES: [Re]12(Cl)(=O)SC(=NC(=[N]1N=C(S2)N(C)c1ccccc1)c1ccccc1)N(CC)CC
• Title of publication: Synthesis, Structural Characterization, and Biological Evaluation of Oxorhenium(V) Complexes with a Novel Type of Thiosemicarbazones Derived from N-[N',N'-Dialkylamino(thiocarbonyl)]benzimidoyl Chlorides
• Authors of publication: Hung Huy Nguyen; Jesudas J. Jegathesh; Pedro I. da S. Maia; Victor M. Deflon; Ronald Gust; Silke Bergemann; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9356 - 9364
• a: 9.671 ± 0.001 Å
• b: 10.765 ± 0.001 Å
• c: 22.184 ± 0.001 Å
• α: 90°
• β: 92.35 ± 0.01°
• γ: 90°
• Cell volume: 2307.6 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No