Information card for entry 2218529

Structure parameters

• Chemical name: Hexaaquahexakis(μ~2~-3,5-diamino-4H-1,2,4-triazole)trinickel(II) tris(hexafluoridosilicate) icosahydrate
• Formula: C12 H82 F18 N30 Ni3 O26 Si3
• Calculated formula: C12 H81.9996 F18 N30 Ni3 O25.9998 Si3
• Title of publication: Hexaaquahexakis(μ~2~-3,5-diamino-4<i>H</i>-1,2,4-triazole)trinickel(II) tris(hexafluoridosilicate) icosahydrate
• Authors of publication: Wu, Li-Ping; Zhao, Shu-Ming; Zhang, Guo-Fang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m802
• a: 13.024 ± 0.001 Å
• b: 13.024 Å
• c: 64.462 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9469.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes