Information card for entry 7016080

Structure parameters

• Common name: ((Chloro-bis(eta$5!-pentadienyl)-titanium-oxy)-(benzo(b)thien- 2-yl)-methylidene) -(pentacarbonyl)-tungsten dichloromethane solvate
• Chemical name: ((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(benzo[b]thien-2-yl)-methylidene) -(pentacarbonyl)-tungsten dichloromethane solvate
• Formula: C25 H17 Cl3 O6 S Ti W
• Calculated formula: C25 H17 Cl3 O6 S Ti W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C(=[O][Ti]12345678(Cl)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51)c1sc2c(c1)cccc2.ClCCl
• Title of publication: Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.
• Authors of publication: Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6711 - 6721
• a: 11.3533 ± 0.0006 Å
• b: 11.6696 ± 0.0006 Å
• c: 12.3627 ± 0.0007 Å
• α: 66.392 ± 0.001°
• β: 88.689 ± 0.001°
• γ: 66.317 ± 0.001°
• Cell volume: 1355.73 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No