Information card for entry 4084558

Structure parameters

• Common name: [NiI2{ImnBu(EtOMe)}2]
• Formula: C20 H36 I2 N4 Ni O2
• Calculated formula: C20 H36 I2 N4 Ni O2
• SMILES: C1(N(C=CN1CCCC)CCOC)=[Ni](=C1N(C=CN1CCCC)CCOC)(I)I
• Title of publication: Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization
• Authors of publication: Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2183
• a: 8.2699 ± 0.0007 Å
• b: 8.7576 ± 0.0007 Å
• c: 9.8261 ± 0.0009 Å
• α: 70.248 ± 0.005°
• β: 75.665 ± 0.004°
• γ: 82.213 ± 0.005°
• Cell volume: 647.88 ± 0.1 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: 0.0507
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No