Information card for entry 7114320

Structure parameters

• Formula: C48 H42 N Ni O P
• Calculated formula: C48 H42 N Ni O P
• SMILES: [Ni]1(Oc2c(C=[N]1c1c(cc(cc1C)CC=C)C)cccc2c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Self-immobilized catalysts for ethylene polymerization: neutral, single-component salicylaldiminato phenyl nickel(ii) complexes bearing allyl substituentsElectronic supplementary information (ESI) available. Synthesis and spectroscopic data for 5, spectroscopic data for 1‒4. See http://www.rsc.org/suppdata/cc/b1/b110258n/
• Authors of publication: Zhang, Dao; Jin, Guo-Xin; Hu, Ninghai
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 574
• a: 9.481 ± 0.004 Å
• b: 9.61 ± 0.002 Å
• c: 22.451 ± 0.01 Å
• α: 101.01 ± 0.03°
• β: 100.84 ± 0.03°
• γ: 92.93 ± 0.03°
• Cell volume: 1964 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.0665
• Goodness-of-fit parameter for all reflections: 0.847
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No