Information card for entry 4105394

Structure parameters

• Formula: C50 H46 Cl6 P2 Pt Ti2
• Calculated formula: C50 H46 Cl6 P2 Pt Ti2
• SMILES: [P]([c]12[cH]3[Ti]456789%10%111([cH]1[cH]5[cH]4[cH]9[cH]8[cH]7[cH]61)[cH]2[cH]%11[cH]3%10)([Pt](Cl)([P]([c]12[cH]3[Ti]456789%10%111([cH]1[cH]9[cH]8[cH]7[cH]6[cH]5[cH]41)[cH]3[cH]%10[cH]2%11)(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(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: 10.0746 ± 0.0006 Å
• b: 10.5051 ± 0.001 Å
• c: 12.4587 ± 0.0008 Å
• α: 114.28 ± 0.008°
• β: 92.36 ± 0.006°
• γ: 103.396 ± 0.006°
• Cell volume: 1155.31 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No