Information card for entry 4070818

Structure parameters

• Formula: C41 H34 Cl2 Co4 O18
• Calculated formula: C41 H34 Cl2 Co4 O18
• SMILES: C([Co]12(C#[O])(C#[O])[C]34=[C]1(CCCC[C]15=[C]6([C@@H]([C@H]3c3cc(c(c(c3)OC)OC)OC)c3cc(c(c(c3)OC)OC)OC)[Co]1(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])[Co]24(C#[O])(C#[O])C#[O])#[O].C(Cl)Cl.C([Co]12(C#[O])(C#[O])[C]34=[C]1(CCCC[C]15=[C]6([C@H]([C@@H]3c3cc(c(c(c3)OC)OC)OC)c3cc(c(c(c3)OC)OC)OC)[Co]1(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])[Co]24(C#[O])(C#[O])C#[O])#[O].C(Cl)Cl
• Title of publication: Intramolecular Cyclizations of Co2(CO)6-Complexed Propargyl Radicals: Synthesis ofd,l- andmeso-1,5-Cyclodecadiynes
• Authors of publication: Melikyan, Gagik G.; Wild, Christopher; Toure, Pogban
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1569
• a: 22.2291 ± 0.0005 Å
• b: 19.5356 ± 0.0005 Å
• c: 21.5056 ± 0.0005 Å
• α: 90°
• β: 92.023 ± 0.001°
• γ: 90°
• Cell volume: 9333.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No