Information card for entry 4072416

Structure parameters

• Formula: C52 H46 Cl4 N4
• Calculated formula: C52 H46 Cl4 N4
• SMILES: n1cccc2cc(cc(c12)c1cc(c2cc(cc3cccnc23)CC)c(c2cc(cc3cccnc23)CC)cc1c1cc(cc2cccnc12)CC)CC.C(Cl)Cl.C(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: 12.5079 ± 0.0003 Å
• b: 21.9598 ± 0.0009 Å
• c: 19.328 ± 0.0007 Å
• α: 90°
• β: 91.434 ± 0.002°
• γ: 90°
• Cell volume: 5307.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.134
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No