Information card for entry 4067507

Structure parameters

• Formula: C48 H26 Co2 O6
• Calculated formula: C48 H26 Co2 O6
• SMILES: c1cccc2c3ccccc3C(=C=C(c3ccccc3)C3(c4ccccc4c4ccccc34)[C]34=[C]5(c6ccccc6)[Co]3(C#[O])(C#[O])(C#[O])[Co]45(C#[O])(C#[O])C#[O])c12
• Title of publication: Different Reactivity Patterns of Trimethylsilyl- and Phenyl-Substituted Propargylallenes: Fe2(CO)9- and [Ag]±Promoted Cyclizations
• Authors of publication: Oulié, Pascal; Altes, Lena; Milosevic, Sandra; Bouteille, Romain; Müller-Bunz, Helge; McGlinchey, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 676
• a: 9.8101 ± 0.0004 Å
• b: 18.4399 ± 0.0008 Å
• c: 20.9994 ± 0.0009 Å
• α: 103.436 ± 0.001°
• β: 93.299 ± 0.001°
• γ: 92.751 ± 0.001°
• Cell volume: 3681.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No