Information card for entry 7211315

Structure parameters

• Formula: C20 H33 Cl Ni O4 P2
• Calculated formula: C20 H33 Cl Ni O4 P2
• SMILES: c12c3cc(cc1O[P](C(C)C)(C(C)C)[Ni]2(Cl)[P](C(C)C)(C(C)C)O3)C(=O)OC
• Title of publication: Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel
• Authors of publication: Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit
• Journal of publication: Green Chemistry
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 3188
• a: 15.908 ± 0.0012 Å
• b: 13.0746 ± 0.001 Å
• c: 11.134 ± 0.0008 Å
• α: 90°
• β: 91.464 ± 0.003°
• γ: 90°
• Cell volume: 2315 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0305
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No