Information card for entry 7003433

Structure parameters

• Formula: C19 H23 Cl4 N3 Ni O3
• Calculated formula: C19 H23 Cl4 N3 Ni O3
• SMILES: [Ni]([n]1c(CO)cccc1)([n]1c(CO)cccc1)[n]1c(CO)cccc1.[Cl-].[Cl-].ClCCl
• Title of publication: Synthesis of nickel complexes with bidentate N,O-type ligands and application in the catalytic oligomerization of ethylene
• Authors of publication: Kermagoret, Anthony; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1564 - 1573
• a: 10.943 ± 0.0004 Å
• b: 11.356 ± 0.0004 Å
• c: 12.321 ± 0.0005 Å
• α: 91.79 ± 0.002°
• β: 113.32 ± 0.002°
• γ: 118.25 ± 0.002°
• Cell volume: 1192.48 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No