Information card for entry 4074525

Structure parameters

• Formula: C27 H40 N O2 P3 W
• Calculated formula: C27 H40 N O2 P3 W
• SMILES: [WH]123([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Oc4c([N]2(c2c(O1)cccc2)c1c3cccc1)cccc4
• 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: 11.9538 ± 0.0007 Å
• b: 24.4189 ± 0.0017 Å
• c: 23.581 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6883.3 ± 0.8 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No