Information card for entry 4084400

Structure parameters

• Formula: C41 H38 Br2 Cl6 N4 Ni2 P2
• Calculated formula: C41 H38 Br2 Cl6 N4 Ni2 P2
• Title of publication: Mono- and Dinuclear Pincer Nickel Catalyzed Activation and Transformation of C‒Cl, C‒N, and C‒O Bonds
• Authors of publication: Yang, Xia; Wang, Zhong-Xia
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5863
• a: 9.1523 ± 0.0005 Å
• b: 10.7455 ± 0.0006 Å
• c: 13.6003 ± 0.0006 Å
• α: 90.564 ± 0.004°
• β: 106.169 ± 0.004°
• γ: 113.619 ± 0.005°
• Cell volume: 1165.76 ± 0.12 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No