Information card for entry 7110471

Structure parameters

• Formula: C27.5 H20 N4.5 Ni O6.5 S2
• Calculated formula: C27.5 H20 N4.5 Ni O6.5 S2
• 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: 9.3135 ± 0.0001 Å
• b: 12.5526 ± 0.0002 Å
• c: 12.7451 ± 0.0002 Å
• α: 96.017 ± 0.001°
• β: 101.887 ± 0.0003°
• γ: 110.076 ± 0.001°
• Cell volume: 1344.26 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No