Information card for entry 7244347

Structure parameters

• Formula: C32 H29 Cl F6 Ni O2 P4
• Calculated formula: C32 H29 Cl F6 Ni O2 P4
• SMILES: [Ni]12([P](c3ccccc3)(CO[P]2(OC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.0853 ± 0.0007 Å
• b: 12.7608 ± 0.0008 Å
• c: 12.9324 ± 0.0007 Å
• α: 106.472 ± 0.003°
• β: 94.713 ± 0.003°
• γ: 115.252 ± 0.002°
• Cell volume: 1681.69 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No