Information card for entry 1561931

Structure parameters

• Formula: C12 H14 N2 Ni O8 S2
• Calculated formula: C12 H14 N2 Ni O8 S2
• Title of publication: In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties
• Authors of publication: Han, Yinfeng; Wang, Chang-an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 227
• Pages of publication: 87 - 91
• a: 20.624 ± 0.003 Å
• b: 4.6502 ± 0.0006 Å
• c: 18.568 ± 0.002 Å
• α: 90°
• β: 116.223 ± 0.002°
• γ: 90°
• Cell volume: 1597.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No