Information card for entry 7051036

Structure parameters

• Formula: C42 H42 N4 O6 W
• Calculated formula: C42 H28 N4 O6 W
• SMILES: [W]12(=O)(=O)(OC(c3ccccc3)(c3ccccc3)c3[n]1cccc3)OC(c1ccccc1)(c1ccccc1)c1[n]2cccc1.O=CN(C)C.O=CN(C)C
• 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: 13.467 ± 0.003 Å
• b: 24.756 ± 0.005 Å
• c: 11.723 ± 0.002 Å
• α: 90°
• β: 100.04 ± 0.03°
• γ: 90°
• Cell volume: 3848.5 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1639
• Weighted residual factors for significantly intense reflections: 0.1487
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No