Information card for entry 7248981

Structure parameters

• Formula: C6 H13 I N3 O P
• Calculated formula: C6 H13 I N3 O P
• Title of publication: Beyond transition block metals: exploring the reactivity of phosphine PTA and its oxide [PTA(O)] towards gallium(iii)
• Authors of publication: Guerriero, Antonella; Ienco, Andrea; Hicks, Thomas; Cilibrizzi, Agostino
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 21139 - 21150
• a: 7.8486 ± 0.0003 Å
• b: 9.6385 ± 0.0003 Å
• c: 12.779 ± 0.0004 Å
• α: 90°
• β: 91.652 ± 0.001°
• γ: 90°
• Cell volume: 966.31 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No