Information card for entry 8102472

Structure parameters

• Chemical name: aqua{2-[(<i>E</i>)-5-bromo-2-oxidobenzylidene- amino]ethanesulfonato}(1,10-phenanthroline)-nickel(II) ethanol solvate,
• Formula: C44 H44 Br2 N6 Ni2 O12 S2
• Calculated formula: C44 H44 Br2 N6 Ni2 O12 S2
• Title of publication: Crystal structure of aqua-bis{(1,10-phenanthroline)-[(E)-5-bromo-2-oxidobenzylideneamino]ethanesulfonato}dinickel(II) — ethanol (1:1), Ni2(H2O)(C12H8N2)2(C9H10BrNO5S)2 · C2H5OH
• Authors of publication: Xianming Chen; Shuhua Zhang; Chengmin Ge; Guangzhao Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 443
• a: 13.5359 ± 0.0015 Å
• b: 14.0612 ± 0.0017 Å
• c: 15.2782 ± 0.0019 Å
• α: 113.374 ± 0.003°
• β: 99.362 ± 0.002°
• γ: 91.253 ± 0.002°
• Cell volume: 2621.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No