Information card for entry 7043964

Structure parameters

• Formula: C138 H188 Cd7 Cl6 Hg2 N26 O43 S4
• Calculated formula: C138 H188 Cd7 Cl6 Hg2 N26 O43 S4
• Title of publication: [Cd(H2O)6]@{Cd6Cl4(nico)12[Hg(Tab)2(-Cl)]2}: a heterometallic host-guest icosidodecahedron cage via hierarchical assembly
• Authors of publication: Tang, Xiaoyan; Yu, Hong; Gao, Bin-Bin; Lang, Jian-Ping
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.08 ± 0.002 Å
• b: 16.7412 ± 0.0013 Å
• c: 20.135 ± 0.003 Å
• α: 101.243 ± 0.002°
• β: 108.605 ± 0.003°
• γ: 111.309 ± 0.002°
• Cell volume: 4479.3 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1221
• 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