Information card for entry 5000363

Structure parameters

• Formula: C34 H55 B N6 Zn
• Calculated formula: C33.97 H54.91 B N6 Tl0.03 Zn0.97
• a: 17.79 ± 0.003 Å
• b: 19.951 ± 0.004 Å
• c: 9.7116 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3446.9 ± 1.2 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No