Information card for entry 7046005

Structure parameters

• Formula: C29 H33 Cl2 N2 O P S2
• Calculated formula: C29 H33 Cl2 N2 O P S2
• Title of publication: Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS₂ (Ar = 4-CH₃O-C₆H₄).
• Authors of publication: Soleimani, Ebrahim; Robertson, Katherine N.; Pye, Cory C.; Clyburne, Jason A. C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 6299 - 6303
• a: 14.3251 ± 0.0003 Å
• b: 13.4264 ± 0.0003 Å
• c: 15.3146 ± 0.0003 Å
• α: 90°
• β: 99.177 ± 0.001°
• γ: 90°
• Cell volume: 2907.82 ± 0.11 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No