Information card for entry 7006990

Structure parameters

• Formula: C49 H54 N2 Ni P
• Calculated formula: C49 H54 N2 Ni P
• SMILES: [Ni]1([N](=Cc2c(N1c1c(cccc1C(C)C)C(C)C)cccc2)c1c(cccc1C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, molecular structure and norbornene polymerization behavior of three-coordinate nickel(I) complexes with chelating anilido-imine ligands.
• Authors of publication: Wang, Hai-Yu; Meng, Xia; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2579 - 2585
• a: 10.695 ± 0.003 Å
• b: 23.306 ± 0.006 Å
• c: 17.182 ± 0.004 Å
• α: 90°
• β: 95.975 ± 0.004°
• γ: 90°
• Cell volume: 4259.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No