Information card for entry 7201286

Structure parameters

• Formula: C17 H18 N2 Ni O8 S
• Calculated formula: C17 H18 N2 Ni O8 S
• Title of publication: Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands
• Authors of publication: Miao, Xiao-He; Zhu, Long-Guan
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2500
• a: 7.989 ± 0.004 Å
• b: 15.006 ± 0.007 Å
• c: 8.168 ± 0.004 Å
• α: 90°
• β: 109.145 ± 0.008°
• γ: 90°
• Cell volume: 925 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No