Information card for entry 7029118

Structure parameters

• Formula: C16 H26 N4 Ni O4
• Calculated formula: C16 H26 N4 Ni O4
• SMILES: O(C(=O)C)[Ni](=C1N(C=CN1C)CC)(=C1N(C=CN1C)CC)OC(=O)C
• Title of publication: Carbene formation upon reactive dissolution of metal oxides in imidazolium ionic liquids.
• Authors of publication: Wellens, Sil; Brooks, Neil R.; Thijs, Ben; Meervelt, Luc Van; Binnemans, Koen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3443 - 3452
• a: 12.4371 ± 0.0015 Å
• b: 9.82 ± 0.001 Å
• c: 15.924 ± 0.0019 Å
• α: 90°
• β: 97.565 ± 0.012°
• γ: 90°
• Cell volume: 1927.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No