Information card for entry 7003430

Structure parameters

• Formula: C30 H56 Cl4 N4 Ni2 O8
• Calculated formula: C30 H56 Cl4 N4 Ni2 O8
• SMILES: C1C2=[N](C(CO2)(C)C)[Ni]23([OH]1)([N]1=C(C[OH]2)OCC1(C)C)[Cl][Ni]12([N]4=C(C[OH]1)OCC4(C)C)([N]1=C(C[OH]2)OCC1(C)C)[Cl]3.C1CCCCC1.[Cl-].[Cl-]
• 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: 9.519 ± 0.002 Å
• b: 10.696 ± 0.002 Å
• c: 10.759 ± 0.003 Å
• α: 79.71 ± 0.05°
• β: 66.07 ± 0.05°
• γ: 72.39 ± 0.05°
• Cell volume: 952.4 ± 0.6 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: 0.0894
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No