Information card for entry 4307094

Structure parameters

• Formula: C20 H16 Cu5 I5 N4 S2
• Calculated formula: C20 H16 Cu5 I5 N4 S2
• Title of publication: New In Situ Cleavage of Both S-S and S-C(sp2) Bonds and Rearrangement Reactions toward the Construction of Copper(I) Cluster-Based Coordination Networks
• Authors of publication: Jing Wang; Shao-Liang Zheng; Sheng Hu; Yue-Hua Zhang; Ming-Liang Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 795 - 800
• a: 36.073 ± 0.003 Å
• b: 11.6925 ± 0.0009 Å
• c: 14.6242 ± 0.0012 Å
• α: 90°
• β: 96.524 ± 0.002°
• γ: 90°
• Cell volume: 6128.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No