Information card for entry 7009107

Structure parameters

• Formula: C22 H12 B Cl F10 W
• Calculated formula: C22 H12 B Cl F10 W
• SMILES: [WH3]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[B](Cl)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Electrophilic addition reactions of the Lewis acids B(C6F5)2R [R = C6F5, Ph, H or Cl] with the metallocene hydrides [M(η-C5H5)2H2] (M = Mo or W), [Re(η-C5H5)2H] and [Ta(η-C5H5)2H3]
• Authors of publication: Doerrer, Linda H.; Graham, Andrew J.; Haussinger, Daniel; Green, Malcolm L. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 813
• a: 8.47 ± 0.004 Å
• b: 10.106 ± 0.004 Å
• c: 13.403 ± 0.003 Å
• α: 80.26 ± 0.03°
• β: 74.88 ± 0.03°
• γ: 67.53 ± 0.02°
• Cell volume: 1020.4 ± 0.7 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0594
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No