Information card for entry 7114953

Structure parameters

• Formula: C8 H6 N4 Ni S2
• Calculated formula: C8 H6 N4 Ni S2
• Title of publication: A paramagnetic lamellar polymer with a high semiconductivity
• Authors of publication: Zhao, Yingjun; Hong, Maochun; Liang, Yucang; Cao, Rong; Weng, Jiabao; Lu, Shaofang; Li, Wenjie
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1020
• a: 7.886 ± 0.0006 Å
• b: 15.5844 ± 0.0011 Å
• c: 16.2399 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1995.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No