Information card for entry 4308260

Structure parameters

• Common name: ReCl2(PPh3)2(L-Ph2)
• Chemical name: Dichloro(N-benzoyl-N',N'-diphenylthioureato-O,S)bis(triphenylphosphine)rhenium(III)
• Formula: C56 H45 Cl2 N2 O P2 Re S
• Calculated formula: C56 H45 Cl2 N2 O P2 Re S
• SMILES: [Re]1(Cl)(Cl)([S]=C(N=C(O1)c1ccccc1)N(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[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: 12.689 ± 0.001 Å
• b: 13.334 ± 0.001 Å
• c: 15.004 ± 0.001 Å
• α: 77.87 ± 0.01°
• β: 85.38 ± 0.01°
• γ: 74.62 ± 0.01°
• Cell volume: 2392.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No