Information card for entry 4105392

Structure parameters

• Formula: C36 H30 Cl2 P2 Pt Ti
• Calculated formula: C36 H30 Cl2 P2 Pt Ti
• SMILES: [Pt]1([P](C23[Ti]456789%10%11%12([CH]2=[CH]4[CH]5=[CH]6[CH]7=[CH]38)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]9[cH]%10[cH]%11[cH]%122)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes
• Authors of publication: Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17014 - 17023
• a: 10.38647 ± 0.00014 Å
• b: 13.1253 ± 0.0002 Å
• c: 22.924 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3125.13 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No