Information card for entry 7043965

Structure parameters

• Formula: C56 H77 F12 Hg2 N9 O6 P2 S4
• Calculated formula: C56 H77 F12 Hg2 N9 O6 P2 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: 8.4455 ± 0.0017 Å
• b: 10.67 ± 0.002 Å
• c: 19.816 ± 0.0015 Å
• α: 93.09 ± 0.02°
• β: 99.53 ± 0.03°
• γ: 94.56 ± 0.02°
• Cell volume: 1751.4 ± 0.5 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: 0.0444
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No