Information card for entry 7110470

Structure parameters

• Formula: C32 H24 N4 Ni2 O2.8 S4
• Calculated formula: C32 H24 N4 Ni2 O2.8 S4
• Title of publication: Isolation and crystal structure of a novel dinuclear nickel(II) O-bound sulfinate from the oxidation of 2,2′-bipyridine-1,2-benzenedithiolatonickel(II)
• Authors of publication: Matthew Cocker, T.; Bachman, Robert E.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 875
• a: 11.5407 ± 0.0003 Å
• b: 16.9821 ± 0.0004 Å
• c: 16.7013 ± 0.0004 Å
• α: 90°
• β: 106.988 ± 0.001°
• γ: 90°
• Cell volume: 3130.39 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1523
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No