Information card for entry 7015536

Structure parameters

• Formula: C19 H19 N6 Ni S4
• Calculated formula: C19 H19 N6 Ni S4
• Title of publication: A low-dimensional molecular spin system with two steps of magnetic transitions and liquid crystal property.
• Authors of publication: Duan, Hai-Bao; Ren, Xiao-Ming; Shen, Lin-Jiang; Jin, Wan-Qin; Meng, Qing-Jin; Tian, Zheng-Fang; Zhou, Shi-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3622 - 3630
• a: 4.454 ± 0.0005 Å
• b: 13.6238 ± 0.0015 Å
• c: 20.238 ± 0.002 Å
• α: 84.472 ± 0.009°
• β: 85.962 ± 0.008°
• γ: 82.683 ± 0.009°
• Cell volume: 1210.3 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No