Information card for entry 4077829

Structure parameters

• Formula: C26 H36 O2 Rh2 S2 Ti
• Calculated formula: C26 H36 O2 Rh2 S2 Ti
• SMILES: [Rh]1234([CH]5CC[CH]4=[CH]2CC[CH]3=5)[S]2[Ti]34567(OC(=CC(=[O]4)C)C)([cH]4[cH]5[cH]6[cH]7[cH]34)[S]1[Rh]1452[CH]2CC[CH]1=[CH]5CC[CH]4=2
• Title of publication: Deprotonation of Cp2Ti(SH)2with Mononuclear Rhodium and Iridium Compounds: A New Route to Trinuclear Early−Late Heterobimetallic Complexes
• Authors of publication: Casado, Miguel A.; Pérez-Torrente, Jesús J.; Ciriano, Miguel A.; Edwards, Andrew J.; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 5299
• a: 17.593 ± 0.002 Å
• b: 11.6592 ± 0.0007 Å
• c: 12.979 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2662.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No