Information card for entry 1515516

Structure parameters

• Formula: C28 H12 Co4 O14
• Calculated formula: C28 H12 Co4 O14
• SMILES: [Co]12([Co]3([C]1(=[CH]23)COc1cccc2c(OC[C]34[Co]5([Co]3([CH]=45)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])cccc12)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly
• Authors of publication: Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 494
• a: 9.6916 ± 0.0002 Å
• b: 13.8803 ± 0.0003 Å
• c: 10.966 ± 0.0003 Å
• α: 90°
• β: 94.153 ± 0.001°
• γ: 90°
• Cell volume: 1471.3 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No