Information card for entry 7020958

Structure parameters

• Formula: C34 H29 F12 N O2 W
• Calculated formula: C34 H29 F12 N O2 W
• SMILES: [W]123(OC(c5c(N2c2c(C(O1)(C(F)(F)F)C(F)(F)F)cc(cc2)C)ccc(c5)C)(C(F)(F)F)C(F)(F)F)C(=C(C=3c1ccccc1)C)C(C)(C)C
• Title of publication: Unusually stable tungstenacyclobutadienes featuring an ONO trianionic pincer-type ligand
• Authors of publication: O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Dalton Transactions
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3326
• a: 10.6462 ± 0.0005 Å
• b: 15.7072 ± 0.0007 Å
• c: 19.9882 ± 0.0009 Å
• α: 90°
• β: 95.374 ± 0.001°
• γ: 90°
• Cell volume: 3327.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0178
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No