Information card for entry 4067819

Structure parameters

• Formula: C52 H59 I N4 Pt
• Calculated formula: C52 H59 I N4 Pt
• SMILES: [Pt]12(c3c(C4=[N]1[C@@H](c1ccccc1)[C@@H](N4C1CCCCC1)c1ccccc1)cccc3C1=[N]2[C@H]([C@@H](N1C1CCCCC1)c1ccccc1)c1ccccc1)I.CCCC
• Title of publication: A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes
• Authors of publication: Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 835
• a: 14.769 ± 0.003 Å
• b: 16.384 ± 0.003 Å
• c: 18.93 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4580.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No