Information card for entry 7052502

Structure parameters

• Formula: C56 H44 Co2 O8 P4
• Calculated formula: C56 H44 Co2 O8 P4
• SMILES: c1(ccccc1)[P](c1ccccc1)(CP(=O)(c1ccccc1)c1ccccc1)[Co](C#[O])(C#[O])(C#[O])[Co]([P](c1ccccc1)(c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])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: 9.0167 ± 0.0006 Å
• b: 10.6153 ± 0.0008 Å
• c: 14.1165 ± 0.0012 Å
• α: 80.777 ± 0.003°
• β: 72.91 ± 0.005°
• γ: 89.329 ± 0.004°
• Cell volume: 1273.91 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1118
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No