Information card for entry 7048525

Structure parameters

• Formula: C30 H30 B0.7 Cl1.3 F2.8 N2 P2 Pd
• Calculated formula: C30 H30 B0.7 Cl1.3 F2.8 N2 P2 Pd
• 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: 9.4114 ± 0.0014 Å
• b: 12.154 ± 0.002 Å
• c: 15.368 ± 0.002 Å
• α: 70.883 ± 0.008°
• β: 88.024 ± 0.008°
• γ: 71.058 ± 0.007°
• Cell volume: 1565.9 ± 0.4 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0493
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No