Information card for entry 4077000

Structure parameters

• Formula: C138 H86 Co16 O56
• Calculated formula: C138 H86 Co16 O56
• SMILES: [Co]12(C#[O])(C#[O])(C#[O])[Co]3(C#[O])(C#[O])(C#[O])[CH]1=[C]23COc1c2cc(c(c1)OC[C]13[Co]4(C#[O])(C#[O])(C#[O])[Co]1(C#[O])(C#[O])(C#[O])[CH]=34)C(CCc1ccccc1)c1c(OC[C]34[Co]5(C#[O])(C#[O])(C#[O])[Co]3(C#[O])(C#[O])(C#[O])[CH]=45)cc(c(c1)C(CCc1ccccc1)c1c(OC[C]34[Co]5(C#[O])(C#[O])(C#[O])[Co]3(C#[O])(C#[O])(C#[O])[CH]=45)cc(c(c1)C(CCc1ccccc1)c1c(OC[C]34[Co]5(C#[O])(C#[O])(C#[O])[Co]3(C#[O])(C#[O])(C#[O])[CH]=45)cc(c(c1)C2CCc1ccccc1)OC[C]12[Co]3(C#[O])(C#[O])(C#[O])[Co]1(C#[O])(C#[O])(C#[O])[CH]=23)OC[C]12[Co]3(C#[O])(C#[O])(C#[O])[Co]1(C#[O])(C#[O])(C#[O])[CH]=23)OC[C]12[Co]3(C#[O])(C#[O])(C#[O])[Co]1(C#[O])(C#[O])(C#[O])[CH]=23.CCCCCC
• Title of publication: An Organometallic Octopus Complex: Structure and Properties of a Resorcinarene with 16 Cobalt Centers
• Authors of publication: Eisler, Dana; Hong, Wei; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3955
• a: 15.0144 ± 0.0003 Å
• b: 19.7712 ± 0.0003 Å
• c: 25.3065 ± 0.0004 Å
• α: 97.749 ± 0.001°
• β: 94.938 ± 0.001°
• γ: 96.814 ± 0.001°
• Cell volume: 7351.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No