Information card for entry 4027126

Structure parameters

• Formula: C79 H72 Cl2 N8 Ni2 P2
• Calculated formula: C79 H72 Cl2 N8 Ni2 P2
• Title of publication: Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes
• Authors of publication: Xue-Qi Zhang; Zhong-Xia Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3658 - 3663
• a: 9.852 ± 0.0009 Å
• b: 13.7371 ± 0.0014 Å
• c: 14.6279 ± 0.0016 Å
• α: 111.06 ± 0.002°
• β: 93.101 ± 0.001°
• γ: 106.545 ± 0.001°
• Cell volume: 1743.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2567
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No