Information card for entry 4304770

Structure parameters

• Common name: [ReOCl(MortcbPhOH)]
• Chemical name: Chloro(N-(N"-morpholinylaminothiocarbonyl)-N'-(2-hydroxyphenyl)benzamidinato- oxorhenium(V)
• Formula: C18 H17 Cl N3 O3 Re S
• Calculated formula: C18 H17 Cl N3 O3 Re S
• SMILES: [Re]12(=O)(Cl)SC(=NC(=[N]1c1ccccc1O2)c1ccccc1)N1CCOCC1
• 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: 10.3104 ± 0.001 Å
• b: 12.3886 ± 0.001 Å
• c: 15.2945 ± 0.001 Å
• α: 90°
• β: 103.248 ± 0.01°
• γ: 90°
• Cell volume: 1901.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No