Information card for entry 7030830

Structure parameters

• Formula: C12 H12 Cu N6 S2
• Calculated formula: C12 H12 Cu N6 S2
• Title of publication: Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.
• Authors of publication: Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9008 - 9011
• a: 15.835 ± 0.002 Å
• b: 15.794 ± 0.002 Å
• c: 6.3968 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599.8 ± 0.4 ų
• Cell temperature: 353 ± 2 K
• Ambient diffraction temperature: 353 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No