Information card for entry 2231306

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-chlorobenzyl)-<i>N</i>''-(2,2,2- trichloroacetyl)phosphoric triamide
• Formula: C16 H15 Cl5 N3 O2 P
• Calculated formula: C16 H15 Cl5 N3 O2 P
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-chlorobenzyl)-<i>N</i>''-(2,2,2-trichloroacetyl)phosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Fadaei, Hassan; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2046
• a: 9.9789 ± 0.0002 Å
• b: 10.6058 ± 0.0003 Å
• c: 10.8386 ± 0.0003 Å
• α: 75.892 ± 0.0013°
• β: 72.225 ± 0.0015°
• γ: 69.605 ± 0.0015°
• Cell volume: 1011.66 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes