Information card for entry 2241044

Structure parameters

• Chemical name: Hexaaquanickel(II) bis(5,6-dihydroxy-3-sulfoquinolin-7-yloxyacetic acid) dihydrate
• Formula: C22 H32 N2 Ni O24 S2
• Calculated formula: C22 H32 N2 Ni O24 S2
• Title of publication: Crystal structure of hexaaquanickel(II) bis{2-[(5,6-dihydroxy-3-sulfonatoquinolin-1-ium-7-yl)oxy]acetate} dihydrate
• Authors of publication: Le Thi Hong, Hai; Nguyen Thi Ngoc, Vinh; Tran Thi, Da; Nguyen Bich, Ngan; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1105 - 1108
• a: 8.1632 ± 0.0005 Å
• b: 8.2829 ± 0.0006 Å
• c: 11.8492 ± 0.0008 Å
• α: 102.316 ± 0.006°
• β: 102.25 ± 0.006°
• γ: 93.003 ± 0.006°
• Cell volume: 760.91 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes