Information card for entry 2201588

Structure parameters

• Chemical name: Hexacarbonyldicobalt(0) complex of "Magazine-rack" molecule, [(η^2^-C~32~H~20~)Co~2~(CO)~6~]
• Formula: C22 H8 Co2 O6
• Calculated formula: C22 H8 Co2 O6
• SMILES: [Co]12(C3([Co]14(C#[O])(C#[O])C#[O])C24c1c(C#Cc2ccccc23)cccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Hexacarbonyldicobalt(0) complex of 5,6,11,12-tetradehydrodibenzo[<i>a</i>,<i>e</i>]cyclooctene, [(η^2^-C~16~H~8~)Co~2~(CO)~6~]
• Authors of publication: Orita, Akihiro; Jiang, Lasheng; Ye, Fangguo; Imai, Nobuyuki; Akashi, Haruo; Junzo Otera
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m748 - m749
• a: 16.2876 ± 0.0008 Å
• b: 7.4552 ± 0.0004 Å
• c: 17.1415 ± 0.0005 Å
• α: 90°
• β: 117.075 ± 0.003°
• γ: 90°
• Cell volume: 1853.34 ± 0.15 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes