Information card for entry 4072420

Structure parameters

• Formula: C62 H70 N4 Pt2
• Calculated formula: C62 H70 N4 Pt2
• SMILES: c1ccc2cc(cc3c2[n]1[Pt](C)([n]1cccc2cc(cc(c12)c1c3cc2c3cc(cc4ccc[n](c34)[Pt]([n]3cccc4cc(cc(c34)c2c1)C(C)(C)C)(C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C
• 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: 16.0011 ± 0.0011 Å
• b: 11.9023 ± 0.0008 Å
• c: 17.194 ± 0.0013 Å
• α: 90°
• β: 101.73 ± 0.003°
• γ: 90°
• Cell volume: 3206.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0902
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No