Information card for entry 7211279

Structure parameters

• Formula: C14 H14 Cl N2 Ni O5 S4
• Calculated formula: C14 H12 Cl N2 Ni O5 S4
• Title of publication: Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.
• Authors of publication: Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 4016 - 4023
• a: 7.696 ± 0.002 Å
• b: 9.276 ± 0.003 Å
• c: 14.063 ± 0.005 Å
• α: 83.413 ± 0.014°
• β: 83.083 ± 0.014°
• γ: 70.712 ± 0.011°
• Cell volume: 937.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No