Information card for entry 2241574

Structure parameters

• Chemical name: Diaquatris(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(sulfato-κ<i>O</i>)nickel(II)
• Formula: C15 H28 N6 Ni O6 S
• Calculated formula: C15 H28 N6 Ni O6 S
• Title of publication: Crystal structure of diaquatris(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(sulfato-κ<i>O</i>)nickel(II)
• Authors of publication: Holczbauer, Tamas; Domjan, Attila; Fodor, Csaba
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 374 - 377
• a: 12.0252 ± 0.0013 Å
• b: 14.3481 ± 0.0015 Å
• c: 15.3502 ± 0.0011 Å
• α: 90°
• β: 128.98 ± 0.005°
• γ: 90°
• Cell volume: 2058.9 ± 0.4 ų
• Cell temperature: 131 ± 2 K
• Ambient diffraction temperature: 131 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes