Information card for entry 4109190

Structure parameters

• Formula: C74 H74 Fe P2 Pt S6
• Calculated formula: C72 H63 Fe P2 Pt S6.524
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([c]%11([P]1(c1ccccc1)c1ccccc1)[cH]5[cH]8[cH]%10[cH]9%11)[cH]([cH]7[cH]36)[cH]24)(c1sc(cc1)c1sc(c2sccs2)c(c1CCCC)CCCC)c1sc(c2sc(c3sccs3)c(c2CCCC)CCCC)cc1
• Title of publication: A Controlled Approach to Well-Defined Oligothiophenes via Oxidatively Induced Reductive Elimination of Stable Pt(II) Oligothienyl Complexes
• Authors of publication: Fan Zhang; Peter Bäuerle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3090 - 3091
• a: 13.834 ± 0.0017 Å
• b: 15.171 ± 0.002 Å
• c: 18.296 ± 0.003 Å
• α: 108.04 ± 0.016°
• β: 101.599 ± 0.016°
• γ: 108.211 ± 0.015°
• Cell volume: 3274.2 ± 1.1 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.1073
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No