Information card for entry 7009282

Structure parameters

• Formula: C18 H16 F3 N O3 S W
• Calculated formula: C18 H15 F3 N O3 S W
• SMILES: [W]12345678([N]#Cc9ccccc9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.C(S(=O)(=O)[O-])(F)(F)F
• 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: 8.759 ± 0.002 Å
• b: 13.161 ± 0.003 Å
• c: 15.623 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1801 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.1118
• Goodness-of-fit parameter for all reflections: 0.877
• Goodness-of-fit parameter for significantly intense reflections: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No