Information card for entry 2221357

Structure parameters

• Chemical name: Tetraquabis(5-fluorosaccharinato)nickel(II)
• Formula: C14 H14 F2 N2 Ni O10 S2
• Calculated formula: C14 H14 F2 N2 Ni O10 S2
• SMILES: C1(=O)c2cc(ccc2S(=O)(=O)N1[Ni]([OH2])([OH2])(N1C(=O)c2cc(ccc2S1(=O)=O)F)([OH2])[OH2])F
• Title of publication: Tetraquabis(5-fluorosaccharinato)nickel(II)
• Authors of publication: Peterson, Larnelle; Kelley, Jennifer; Peterson, Jr, LeRoy; Smith, Mark D.; Loye, Hans-Conrad zur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m364 - m365
• a: 6.9649 ± 0.0003 Å
• b: 8.0484 ± 0.0003 Å
• c: 9.5877 ± 0.0004 Å
• α: 101.78 ± 0.001°
• β: 105.983 ± 0.001°
• γ: 110.973 ± 0.001°
• Cell volume: 454.19 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes