Information card for entry 7113269

Structure parameters

• Formula: C44 H51 Cl N2 Ni P2
• Calculated formula: C44 H51 Cl N2 Ni P2
• SMILES: [Ni]12([P](C=C(N2c2c(P(=[N]1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)cccc2)c1ccccc1)(C(C)C)C(C)C)Cl
• Title of publication: Amido pincer complex of nickel-catalysed Kumada cross-coupling reactions
• Authors of publication: Wang, Zhong-Xia; Wang, Li
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2423 - 2425
• a: 11.861 ± 0.002 Å
• b: 12.509 ± 0.003 Å
• c: 14.959 ± 0.003 Å
• α: 84.58 ± 0.03°
• β: 77.35 ± 0.03°
• γ: 64.29 ± 0.03°
• Cell volume: 1951.2 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101982
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No