Information card for entry 4501757

Structure parameters

• Formula: C42 H33 Co6 N3 O21
• Calculated formula: C42 H33 Co6 N3 O21
• SMILES: C1[C]23=[C]4(CC(C)(C)C(=O)NC[C]56=[C]7(CC(C)(C)C(=O)NC[C]89=[C]%10(CC(C)(C)C(=O)N1)[Co]8(C#[O])(C#[O])(C#[O])[Co]9%10(C#[O])(C#[O])C#[O])[Co]5(C#[O])(C#[O])(C#[O])[Co]67(C#[O])(C#[O])C#[O])[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: 13.031 ± 0.012 Å
• b: 13.949 ± 0.018 Å
• c: 15.014 ± 0.015 Å
• α: 87.18 ± 0.1°
• β: 89.84 ± 0.09°
• γ: 67.17 ± 0.09°
• Cell volume: 2512 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3738
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.3338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No