Information card for entry 1577196

Structure parameters

• Chemical name: ICPN3Bn
• Formula: C8 H7 I N3 P
• Calculated formula: C8 H7 I N3 P
• Title of publication: Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles
• Authors of publication: Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 6.2162 ± 0.0005 Å
• b: 8.1483 ± 0.0007 Å
• c: 9.9156 ± 0.0009 Å
• α: 88.024 ± 0.003°
• β: 85.736 ± 0.003°
• γ: 89.791 ± 0.003°
• Cell volume: 500.55 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No