Information card for entry 7009281

Structure parameters

• Formula: C15 H17 F3 O4 S3 W
• Calculated formula: C15 H17 F3 O4 S3 W
• SMILES: [W]123456789(SC(=[S]1)OC(C)C)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Synthesis and characterisation of cationic bis(cyclopentadienyl)tungsten(IV) complexes †
• Authors of publication: Carmichael, Adrian J.; Duncalf, David J.; Wallbridge, Malcolm G. H.; McCamley, Andrew
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1219
• a: 7.3175 ± 0.0002 Å
• b: 20.8936 ± 0.0007 Å
• c: 14.3418 ± 0.0004 Å
• α: 90°
• β: 92.71°
• γ: 90°
• Cell volume: 2190.25 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1051
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections: 0.2375
• Weighted residual factors for significantly intense reflections: 0.2133
• Goodness-of-fit parameter for all reflections: 0.913
• Goodness-of-fit parameter for significantly intense reflections: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No