Information card for entry 4072093

Structure parameters

• Formula: C25 H20 N P
• Calculated formula: C25 H20 N P
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccccc1/N=C/c1ccccc1
• Title of publication: Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling
• Authors of publication: Sun, Kai; Wang, Li; Wang, Zhong-Xia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5649
• a: 15.108 ± 0.003 Å
• b: 13.258 ± 0.003 Å
• c: 20.346 ± 0.004 Å
• α: 90°
• β: 98.395 ± 0.003°
• γ: 90°
• Cell volume: 4031.7 ± 1.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No