Information card for entry 7718995

Structure parameters

• Formula: C22 H17 Cl2 N6 O13 P
• Calculated formula: C21.9999 H16.9998 Cl1.9998 N6 O13 P
• Title of publication: Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups.
• Authors of publication: Pérez, Rafael; Dahmani, Houari; Bélanger-Chabot, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13030 - 13034
• a: 12.7064 ± 0.0006 Å
• b: 12.7064 ± 0.0006 Å
• c: 10.2125 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1427.93 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No