Information card for entry 4064186

Structure parameters

• Formula: C33 H47 N P2 Pt S
• Calculated formula: C33 H47 N P2 Pt S
• SMILES: C1[Pt]2(SC=CC=1c1cccc3cccnc13)[P](CC[P]2(C(C)C)C(C)C)(C(C)C)C(C)C.c1ccccc1
• Title of publication: C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes
• Authors of publication: Tan, Runyu; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1637
• a: 9.7376 ± 0.0003 Å
• b: 26.8064 ± 0.001 Å
• c: 24.8079 ± 0.0009 Å
• α: 90°
• β: 93.471 ± 0.001°
• γ: 90°
• Cell volume: 6463.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No