Information card for entry 7718998

Structure parameters

• Formula: C21 H15 N6 O13 P
• Calculated formula: C21 H15 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: 9.9092 ± 0.0007 Å
• b: 11.3024 ± 0.0008 Å
• c: 11.9429 ± 0.0009 Å
• α: 104.595 ± 0.007°
• β: 105.946 ± 0.007°
• γ: 95.378 ± 0.006°
• Cell volume: 1225.37 ± 0.17 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No