Information card for entry 7041109

Structure parameters

• Formula: C26 H21 F12 N O4 W
• Calculated formula: C26 H21 F12 N O4 W
• SMILES: [W]12(OC(c3c(N2c2c(C(O1)(C(F)(F)F)C(F)(F)F)cc(cc2)C)ccc(c3)C)(C(F)(F)F)C(F)(F)F)(=O)C(=C=O)C(C)(C)C
• Title of publication: Carbon dioxide cleavage across a tungsten-alkylidyne bearing a trianionic pincer-type ligand.
• Authors of publication: Gonsales, Stella A.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15783 - 15785
• a: 22.3171 ± 0.0017 Å
• b: 9.1 ± 0.0007 Å
• c: 27.541 ± 0.002 Å
• α: 90°
• β: 96.6553 ± 0.0015°
• γ: 90°
• Cell volume: 5555.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0236
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No