Information card for entry 4074522

Structure parameters

• Formula: C42 H87 N O2 P8 W2
• Calculated formula: C42 H87 N O2 P8 W2
• SMILES: [WH2]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Oc2c(N(c3c4O[WH2]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)c4ccc3)c3ccccc3)cccc12
• 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: 10.2456 ± 0.0006 Å
• b: 16.1291 ± 0.001 Å
• c: 17.4406 ± 0.001 Å
• α: 83.523 ± 0.001°
• β: 82.495 ± 0.001°
• γ: 76.275 ± 0.001°
• Cell volume: 2765.8 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No