Information card for entry 4115088

Structure parameters

• Formula: C38 H35 Mo O4.5
• Calculated formula: C38 H35 Mo O4.5
• Title of publication: Tetrakis(2-hydroxyphenyl)ethene and Derivatives. A Structurally Preorganized Tetradentate Ligand System for Polymetallic Coordination Chemistry and Catalysis
• Authors of publication: Udo Verkerk; Megumi Fujita; Trevor L. Dzwiniel; Robert McDonald; Jeffrey M. Stryker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9988 - 9989
• a: 12.981 ± 0.0015 Å
• b: 12.9035 ± 0.0015 Å
• c: 17.957 ± 0.002 Å
• α: 90°
• β: 101.965 ± 0.002°
• γ: 90°
• Cell volume: 2942.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No