Information card for entry 7110437

Structure parameters

• Formula: C12 H16 N2 O8 S2 Zn
• Calculated formula: C12 H16 N2 O8 S2 Zn0.5
• Title of publication: Aerobic oxidation of a disulfide to its sulfonate leading to supramolecular pyridine-2-sulfonato Cu(II) and Zn(II) complexes
• Authors of publication: Kimura, Kentaro; Kimura, Takahiro; Kinoshita, Isamu; Nakashima, Nobuaki; Kitano, Ken’ichi; Nishioka, Takanori; Isobe, Kiyoshi
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 497
• a: 19.058 ± 0.001 Å
• b: 7.381 ± 0.001 Å
• c: 14.321 ± 0.001 Å
• α: 90°
• β: 126.176 ± 0.004°
• γ: 90°
• Cell volume: 1626.1 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0377
• Goodness-of-fit parameter for significantly intense reflections: 1.343
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK_a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No