Information card for entry 7052503

Structure parameters

• Formula: C28 H18 Co4 O14
• Calculated formula: C28 H18 Co4 O14
• SMILES: [C]12(=[C]3(c4ccc([C]56=[C]7(C(C)(C)O)[Co]5([Co]67(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])cc4)[Co]1([Co]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C(C)(C)O
• Title of publication: Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/
• Authors of publication: Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 527
• a: 7.9541 ± 0.0006 Å
• b: 8.0955 ± 0.0006 Å
• c: 12.4315 ± 0.0012 Å
• α: 86.127 ± 0.005°
• β: 85.621 ± 0.004°
• γ: 77.462 ± 0.005°
• Cell volume: 778.05 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No