Information card for entry 5000377

Structure parameters

• Formula: C27 H32 B3 F12 Mo2 N9
• Calculated formula: C27 H32 B3 F12 Mo2 N9
• a: 23.831 ± 0.003 Å
• b: 12.2175 ± 0.0017 Å
• c: 26.018 ± 0.004 Å
• α: 90°
• β: 94.13 ± 0.007°
• γ: 90°
• Cell volume: 7555.8 ± 1.8 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 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 significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1228
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No