Information card for entry 4072422

Structure parameters

• Formula: C64 H72 Cl8 N4 Pt2
• Calculated formula: C64 H72 Cl8 N4 Pt2
• SMILES: [n]12cccc3cc(cc(c23)c2c[c]34c5cc(cc6ccc[n](c56)[Pt]4([n]4cccc5cc(cc(c45)c3c[c]32[Pt]1(C)(C)(Cl)[n]1cccc2cc(cc3c12)C(C)(C)C)C(C)(C)C)(C)(C)Cl)C(C)(C)C)C(C)(C)C.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: 10.0472 ± 0.0005 Å
• b: 12.0539 ± 0.0007 Å
• c: 13.355 ± 0.0007 Å
• α: 70.392 ± 0.002°
• β: 83.136 ± 0.004°
• γ: 86.422 ± 0.003°
• Cell volume: 1512.25 ± 0.14 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: 0.1389
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No