Information card for entry 7048526

Structure parameters

• Formula: C30 H30 B Cl F4 N2 Ni P2
• Calculated formula: C30 H30 B Cl F4 N2 Ni P2
• Title of publication: Facile synthesis of Pd(ii) and Ni(ii) pincer carbene complexes by the double C-H bond activation of a new hexahydropyrimidine-based bis(phosphine): catalysis of C-N couplings.
• Authors of publication: Subramaniyan, Vasudevan; Dutta, Bidisa; Govindaraj, Anbarasu; Mani, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7203 - 7210
• a: 8.974 ± 0.003 Å
• b: 12.154 ± 0.003 Å
• c: 15.103 ± 0.004 Å
• α: 95.04 ± 0.018°
• β: 106.082 ± 0.018°
• γ: 103.084 ± 0.017°
• Cell volume: 1521.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.75 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No