Information card for entry 7221134

Structure parameters

• Formula: C36 H63 Cd3 Cl6 N8 O4.5
• Calculated formula: C36 H54 Cd3 Cl6 N8 O4.5
• Title of publication: Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions
• Authors of publication: Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 5832
• a: 10.1322 ± 0.0014 Å
• b: 18.536 ± 0.002 Å
• c: 26.333 ± 0.004 Å
• α: 90°
• β: 99.012 ± 0.002°
• γ: 90°
• Cell volume: 4884.6 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No