Information card for entry 7244346

Structure parameters

• Formula: C43 H49 Cl2 F12 N2 Ni O2 P5
• Calculated formula: C43 H49 Cl2 F12 N2 Ni O2 P5
• Title of publication: Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines
• Authors of publication: Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4510 - 4520
• a: 11.235 ± 0.002 Å
• b: 22.991 ± 0.004 Å
• c: 20.206 ± 0.004 Å
• α: 90°
• β: 97.139 ± 0.006°
• γ: 90°
• Cell volume: 5178.8 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No