Information card for entry 7249453

Structure parameters

• Formula: C12 H18 Cl N2 O2 P S2
• Calculated formula: C12 H18 Cl N2 O2 P S2
• Title of publication: Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes
• Authors of publication: Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 32206 - 32220
• a: 7.629 ± 0.0001 Å
• b: 7.6702 ± 0.0001 Å
• c: 14.1025 ± 0.0004 Å
• α: 94.2128 ± 0.0019°
• β: 99.531 ± 0.002°
• γ: 98.0165 ± 0.0016°
• Cell volume: 801.93 ± 0.03 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9743
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No