Information card for entry 7114833

Structure parameters

• Formula: C36 H79 Cl3 N16 O14
• Calculated formula: C36 H79 Cl3 N16 O14
• Title of publication: Novel highly symmetrical cube-shaped cation with 16-nitrogen donors
• Authors of publication: Bing-guang, Zhang; Hong, Mo; Chun-ying, Duan; Cheng, He; Qing-jin, Meng; Zhe-ming, Wang; Chun-hua, Yan
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2652
• a: 11.483 ± 0.002 Å
• b: 16.512 ± 0.003 Å
• c: 13.051 ± 0.003 Å
• α: 90°
• β: 94.82 ± 0.03°
• γ: 90°
• Cell volume: 2465.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No