Information card for entry 7231644

Structure parameters

• Common name: 1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)
• Chemical name: 1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)
• Formula: C12 H22 N4 Ni O5
• Calculated formula: C12 H22 N4 Ni O5
• Title of publication: Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes
• Authors of publication: Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 44
• Pages of publication: 7071
• a: 6.8975 ± 0.0018 Å
• b: 9.13 ± 0.002 Å
• c: 12.645 ± 0.003 Å
• α: 92.821 ± 0.004°
• β: 92.276 ± 0.004°
• γ: 104.339 ± 0.004°
• Cell volume: 769.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No