Information card for entry 4311310

Structure parameters

• Formula: C32 H60 Cl4 N4 Ni2 O8
• Calculated formula: C32 H60 Cl4 N4 Ni2 O8
• SMILES: C12=[N](C(C)(C)CO2)[Ni]23([N]4C(COC=4C([OH]2)(C)C)(C)C)([OH]C1(C)C)[Cl][Ni]12([N]4=C(C(C)(C)[OH]1)OCC4(C)C)([N]1C(COC=1C([OH]2)(C)C)(C)C)[Cl]3.[Cl-].[Cl-]
• Title of publication: Dinuclear Nickel Complexes with Bidentate N,O Ligands: Synthesis, Structure, and Catalytic Oligomerization of Ethylene
• Authors of publication: Fredy Speiser; Pierre Braunstein; Lucien Saussine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4234 - 4240
• a: 10.018 ± 0.005 Å
• b: 10.698 ± 0.005 Å
• c: 11.48 ± 0.005 Å
• α: 74.896 ± 0.005°
• β: 64.424 ± 0.005°
• γ: 76.629 ± 0.005°
• Cell volume: 1061.4 ± 0.9 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: 0.0867
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No