Information card for entry 4074527

Structure parameters

• Formula: C48 H50 N2 O4 P2 W
• Calculated formula: C48 H50 N2 O4 P2 W
• SMILES: N1(c2c(O[W]3([P](C)(C)C)([P](C)(C)C)(Oc4c1cccc4)Oc1c(N(c4c(O3)cccc4)c3ccccc3)cccc1)cccc2)c1ccccc1.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: 10.027 ± 0.007 Å
• b: 12.188 ± 0.008 Å
• c: 17.573 ± 0.013 Å
• α: 90°
• β: 105.791 ± 0.012°
• γ: 90°
• Cell volume: 2067 ± 3 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: 0.0972
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No