Information card for entry 4074528

Structure parameters

• Formula: C30 H51 N O2 P4 W
• Calculated formula: C30 H51 N O2 P4 W
• SMILES: [WH2]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Oc2c1cccc2N(c1c(O)cccc1)c1ccccc1
• 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: 12.8372 ± 0.0012 Å
• b: 17.6683 ± 0.0016 Å
• c: 16.1539 ± 0.0015 Å
• α: 90°
• β: 103.227 ± 0.002°
• γ: 90°
• Cell volume: 3566.7 ± 0.6 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No