Information card for entry 7706596

Structure parameters

• Formula: C3 N3 O3 P
• Calculated formula: C3 N3 O3 P
• Title of publication: Synthesis and characterization of phosphorous(III) diisocyanate and triisocyanate.
• Authors of publication: Hu, Dandan; Lu, Bo; Song, Chao; Zhu, Bifeng; Wang, Lina; Bernhardt, Eduard; Zeng, Xiaoqing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3299 - 3307
• a: 7.2574 ± 0.0004 Å
• b: 11.2605 ± 0.0006 Å
• c: 7.153 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 584.56 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No