Information card for entry 4064185

Structure parameters

• Formula: C27 H41 N P2 Pt S
• Calculated formula: C27 H41 N P2 Pt S
• SMILES: C1(S[Pt]2(C=CC=1)[P](CC[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)c1cccc2cccnc12
• 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: 17.3049 ± 0.0006 Å
• b: 9.9102 ± 0.0003 Å
• c: 16.1325 ± 0.0008 Å
• α: 90°
• β: 100.411 ± 0.002°
• γ: 90°
• Cell volume: 2721.1 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No