Information card for entry 7046006

Structure parameters

• Formula: C75 H98 N4 O2 P2 S4
• Calculated formula: C75 H98 N4 O2 P2 S4
• 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: 34.664 ± 0.005 Å
• b: 13.266 ± 0.002 Å
• c: 15.692 ± 0.003 Å
• α: 90°
• β: 105.515 ± 0.002°
• γ: 90°
• Cell volume: 6953 ± 2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No