Information card for entry 7212137

Structure parameters

• Common name: [Ni(tmen)(acac)][B(Ph)4]
• Chemical name: Nickel(II)tetramethylethylenediaminacetylacetonate tetraphenyloborate
• Formula: C35 H43 B N2 Ni O2
• Calculated formula: C35 H43 B N2 Ni O2
• SMILES: [Ni]12(OC(=CC(=[O]1)C)C)[N](CC[N]2(C)C)(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [Ni(tmen)(acac)][B(Ph)4] a probe for the anion basicity of ionic liquids.
• Authors of publication: Bartosik, Joanna; Mudring, Anja-Verena
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 4005 - 4011
• a: 16.834 ± 0.003 Å
• b: 12.107 ± 0.002 Å
• c: 17.066 ± 0.003 Å
• α: 90°
• β: 114.63 ± 0.03°
• γ: 90°
• Cell volume: 3161.8 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.168
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No