Information card for entry 7238310

Structure parameters

• Formula: C12 H13 Cu N2 O6 S
• Calculated formula: C12 H13 Cu N2 O6 S
• Title of publication: A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention
• Authors of publication: Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3840
• a: 8.522 ± 0.009 Å
• b: 10.18 ± 0.011 Å
• c: 17.534 ± 0.019 Å
• α: 90°
• β: 100.627 ± 0.013°
• γ: 90°
• Cell volume: 1495 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No