Information card for entry 4074523

Structure parameters

• Formula: C27 H42 N O2 P3 W
• Calculated formula: C27 H42 N O2 P3 W
• SMILES: [WH2]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Oc3c([N]2(c2c(O1)cccc2)c1ccccc1)cccc3
• Title of publication: C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes
• Authors of publication: Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5839
• a: 9.4138 ± 0.0006 Å
• b: 17.4475 ± 0.0012 Å
• c: 18.0247 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2960.5 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No