Information card for entry 1569097

Structure parameters

• Chemical name: MR-422P4
• Formula: C36 H70 N7 P S2 Si
• Calculated formula: C36 H70 N7 P S2 Si
• a: 11.2626 ± 0.0006 Å
• b: 12.9308 ± 0.0006 Å
• c: 16.184 ± 0.0007 Å
• α: 77.944 ± 0.004°
• β: 87.125 ± 0.004°
• γ: 66.062 ± 0.004°
• Cell volume: 2105.12 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No