Information card for entry 4082884

Structure parameters

• Formula: C32 H37 Br N4 Pd
• Calculated formula: C32 H37 Br N4 Pd
• SMILES: c12[Pd]3([N]4=C(c1cccc2C1=[N]3[C@H](CN1c1ccc(cc1)C)C(C)C)N(c1ccc(cc1)C)C[C@@H]4C(C)C)Br
• Title of publication: Enantioselective Hydrophosphination of Enones with Diphenylphosphine Catalyzed by Bis(imidazoline) NCN Pincer Palladium(II) Complexes
• Authors of publication: Hao, Xin-Qi; Zhao, Yong-Wei; Yang, Jing-Jing; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1801
• a: 11.7799 ± 0.0003 Å
• b: 11.7799 ± 0.0003 Å
• c: 21.5302 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2987.66 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No