Information card for entry 7016083

Structure parameters

• Common name: ((Chloro-bis(eta$5!-pentadienyl)-titanium-oxy)-(ferrocenyl)- methylidene)-(pentacarbonyl)-tungsten
• Chemical name: ((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(ferrocenyl)-methylidene)- (pentacarbonyl)-tungsten
• Formula: C26 H19 Cl Fe O6 Ti W
• Calculated formula: C26 H19 Cl Fe O6 Ti W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)=[O][Ti]12345678(Cl)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 23.22 ± 0.003 Å
• b: 10.0663 ± 0.0014 Å
• c: 10.8634 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2539.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No