Information card for entry 7221139

Structure parameters

• Formula: C36 H56.5 Br6 Hg3 N8 O1.25
• Calculated formula: C36 H54 Br6 Hg3 N8 O1.25
• 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: 9.641 ± 0.0002 Å
• b: 33.6643 ± 0.0007 Å
• c: 14.2372 ± 0.0003 Å
• α: 90°
• β: 92.897 ± 0.002°
• γ: 90°
• Cell volume: 4614.88 ± 0.17 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0542
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No