Information card for entry 7030225

Structure parameters

• Formula: C27 H22 Cl2 N3 Ni P
• Calculated formula: C27 H22 Cl2 N3 Ni P
• SMILES: [Ni]12(Cl)(Cl)[n]3c4c(ccc3)cccc4[N]1=P(c1ccccc1)(Cc1[n]2cccc1)c1ccccc1
• Title of publication: Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.
• Authors of publication: Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10453 - 10464
• a: 34.5863 ± 0.0013 Å
• b: 11.5292 ± 0.0002 Å
• c: 19.6821 ± 0.0005 Å
• α: 90°
• β: 117.126 ± 0.004°
• γ: 90°
• Cell volume: 6985 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No