Information card for entry 4501756

Structure parameters

• Formula: C28 H22 Co4 N2 O14
• Calculated formula: C28 H22 Co4 N2 O14
• SMILES: C1[C]23=[C]4(CC(C(=O)NC[C]56=[C]7(CC(C(=O)N1)(C)C)[Co]5(C#[O])(C#[O])(C#[O])[Co]67(C#[O])(C#[O])C#[O])(C)C)[Co]2(C#[O])(C#[O])(C#[O])[Co]34(C#[O])(C#[O])C#[O]
• Title of publication: Hierarchical Self-Assembly of Lactams into Supramolecular CO-Spiked “Sea Urchins” and Then into a Channeled Crystal
• Authors of publication: Baillargeon, Pierre; Fortin, Daniel; Dory, Yves L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4357
• a: 29.4 ± 0.02 Å
• b: 29.4 ± 0.02 Å
• c: 24.86 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18609 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.6822
• Residual factor for significantly intense reflections: 0.1998
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No