Information card for entry 4308259

Structure parameters

• Common name: ReOCl2PPh3(PhCONCSMor)
• Chemical name: TriphenylphosphineOxodichloro(N-benzoyl-N'-morpholinylthioreato-O,S)rhenium(V)
• Formula: C30 H28 Cl2 N2 O3 P Re S
• Calculated formula: C30 H28 Cl2 N2 O3 P Re S
• SMILES: [Re]1(Cl)(Cl)(=O)([S]=C(N=C(O1)c1ccccc1)N1CCOCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.73 ± 0.001 Å
• b: 19.891 ± 0.001 Å
• c: 16.864 ± 0.002 Å
• α: 90°
• β: 130.8 ± 0.01°
• γ: 90°
• Cell volume: 2978.6 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No