Information card for entry 7104607

Structure parameters

• Formula: C110 H54 Co16 O56
• Calculated formula: C110 H54 Co16 O56
• SMILES: [Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]1(COc1c4cc(c(OC[C]56[Co]7([Co]5(C#[O])(C#[O])(C#[O])[CH]=67)(C#[O])(C#[O])C#[O])c1)C(C)c1cc(c(OC[C]56[Co]7([Co]5(C#[O])(C#[O])(C#[O])[CH]=67)(C#[O])(C#[O])C#[O])cc1OC[C]15[Co]6([Co]1(C#[O])(C#[O])(C#[O])[CH]=56)(C#[O])(C#[O])C#[O])C(C)c1cc(c(OC[C]56[Co]7([Co]5(C#[O])(C#[O])(C#[O])[CH]=67)(C#[O])(C#[O])C#[O])cc1OC[C]15[Co]6([Co]1(C#[O])(C#[O])(C#[O])[CH]=56)(C#[O])(C#[O])C#[O])C(C)c1cc(c(OC[C]56[Co]7([Co]5(C#[O])(C#[O])(C#[O])[CH]=67)(C#[O])(C#[O])C#[O])cc1OC[C]15[Co]6([Co]1(C#[O])(C#[O])(C#[O])[CH]=56)(C#[O])(C#[O])C#[O])C4C)=[CH]23)(C#[O])(C#[O])C#[O].c1ccccc1
• Title of publication: Prenucleation and coalescence of cobalt nanoclusters mediated by multivalent calixarene complexes.
• Authors of publication: Liu, Jie; Wei, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 28
• Pages of publication: 4254 - 4256
• a: 14.7094 ± 0.0005 Å
• b: 18.5694 ± 0.0007 Å
• c: 24.4316 ± 0.0009 Å
• α: 96.7847 ± 0.0014°
• β: 103.493 ± 0.002°
• γ: 90.824 ± 0.003°
• Cell volume: 6437.6 ± 0.4 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 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: 0.1
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No