Information card for entry 7244343

Structure parameters

• Formula: C33 H31 Cl4 Ni O2 P3
• Calculated formula: C33 H31 Cl4 Ni O2 P3
• SMILES: [Ni]12([P](c3ccccc3)(c3ccccc3)CO[P]1(OC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl.ClCCl
• 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: 11.2965 ± 0.0008 Å
• b: 23.8196 ± 0.0017 Å
• c: 12.6524 ± 0.0008 Å
• α: 90°
• β: 98.894 ± 0.003°
• γ: 90°
• Cell volume: 3363.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No