Information card for entry 7020961

Structure parameters

• Formula: C29 H31 F12 N O3 W
• Calculated formula: C29 H31 F12 N O3 W
• 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: 11.4139 ± 0.0018 Å
• b: 9.5278 ± 0.0015 Å
• c: 28.609 ± 0.005 Å
• α: 90°
• β: 97.389 ± 0.003°
• γ: 90°
• Cell volume: 3085.4 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No