Information card for entry 7051037

Structure parameters

• Formula: C53.5 H63.5 N2.5 O4.5 W
• Calculated formula: C53.5 H63.5 N2.5 O4.5 W
• Title of publication: Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands
• Authors of publication: Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 353
• a: 17.66 ± 0.003 Å
• b: 16.118 ± 0.001 Å
• c: 19.974 ± 0.003 Å
• α: 90°
• β: 106.76 ± 0.003°
• γ: 90°
• Cell volume: 5444 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1285
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No