Information card for entry 5000407

Structure parameters

• Formula: C66 H62 B2 F8 Mo2 N12
• Calculated formula: C68.2961 H52 B2 F8 Mo2 N10
• a: 27.753 ± 0.006 Å
• b: 12.462 ± 0.002 Å
• c: 18.715 ± 0.004 Å
• α: 90°
• β: 106.509 ± 0.01°
• γ: 90°
• Cell volume: 6206 ± 2 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3587
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No