Information card for entry 7231642

Structure parameters

• Common name: N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)
• Chemical name: N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)
• Formula: C9 H16 N4 Ni O2 S
• Calculated formula: C9 H16 N4 Ni O2 S
• 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: 11.9515 ± 0.0015 Å
• b: 4.8375 ± 0.0006 Å
• c: 22.198 ± 0.003 Å
• α: 90°
• β: 103.424 ± 0.002°
• γ: 90°
• Cell volume: 1248.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No