Information card for entry 4072421

Structure parameters

• Formula: C56 H56 Cl8 N4 Pt2
• Calculated formula: C56 H56 Cl8 N4 Pt2
• SMILES: c1ccc2cc(cc3c2[n]1[Pt]1([n]2cccc4cc(cc(c24)c2c[c]45c6cc(cc7ccc[n](c67)[Pt]5([n]5cccc6cc(cc(c56)c4c[c]312)CC)(C)(C)Cl)CC)CC)(C)(C)Cl)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization
• Authors of publication: Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6614
• a: 9.3132 ± 0.0004 Å
• b: 11.8742 ± 0.0004 Å
• c: 13.3219 ± 0.0003 Å
• α: 67.5142 ± 0.0017°
• β: 85.269 ± 0.002°
• γ: 85.9551 ± 0.0017°
• Cell volume: 1355.37 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No