Information card for entry 4084632

Structure parameters

• Formula: C26 H42 Br2 Ni O4 P2
• Calculated formula: C26 H42 Br2 Ni O4 P2
• Title of publication: Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes
• Authors of publication: Vabre, Boris; Deschamps, Félix; Zargarian, Davit
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6623
• a: 9.0321 ± 0.0002 Å
• b: 11.04 ± 0.0003 Å
• c: 15.7 ± 0.0004 Å
• α: 102.066 ± 0.001°
• β: 96.868 ± 0.001°
• γ: 96.906 ± 0.001°
• Cell volume: 1502.84 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0404
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No