Information card for entry 2201666

Structure parameters

• Chemical name: μ-pentacyclo[26.4.0.0^9,14^.0^17,22^.0^25,30^]dotriaconta- 1,3,5,9,11,13,15,17,19,21,25,27,29,31-tetradecaene-7,24-diyne- bis(tricarbonylcobalt) dichloromethane solvate
• Formula: C39 H22 Cl2 Co2 O6
• Calculated formula: C39 H22 Cl2 Co2 O6
• SMILES: [Co]12(C#[O])(C#[O])(C#[O])[CH]34=[CH]1([Co]23(C#[O])(C#[O])C#[O])c2c(C=Cc3c(C#Cc1c(C=Cc5c4cccc5)cccc1)cccc3)cccc2.ClCCl
• Title of publication: A hexacarbonyldicobalt(0) complex of a `magazine-rack' molecule, [(η^2^-<i>C</i>~32~H~20~)Co~2~(CO)~6~]·CH~2~Cl~2~
• Authors of publication: Orita, Akihiro; Jiang, Lasheng; Ye, Fangguo; Imai, Nobuyuki; Akashi, Haruo; Otera, Junzo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m681 - m683
• a: 13.0348 ± 0.0003 Å
• b: 10.9999 ± 0.0003 Å
• c: 23.8599 ± 0.0005 Å
• α: 90°
• β: 94.584 ± 0.001°
• γ: 90°
• Cell volume: 3410.12 ± 0.14 ų
• Cell temperature: 113.1 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 significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes