Information card for entry 7251576

Structure parameters

• Formula: C33 H28 Bi N3 O7 S2
• Calculated formula: C33 H28 Bi N3 O7 S2
• Title of publication: Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX
• Authors of publication: Huang, Tao; Peng, Rufang; Jin, Bo
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 962 - 971
• a: 12.9683 ± 0.0004 Å
• b: 16.8294 ± 0.0004 Å
• c: 16.713 ± 0.0006 Å
• α: 90°
• β: 91.479 ± 0.001°
• γ: 90°
• Cell volume: 3646.38 ± 0.19 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 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 all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No