Information card for entry 7050201

Structure parameters

• Formula: C45 H32 Co4 O10 P2
• Calculated formula: C45 H32 Co4 O10 P2
• SMILES: [Co]123([Co]4([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([C]12[C]25[Co]6([Co]2([C]=56C(CC(=C)[C]34=1)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])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: 39.7446 ± 0.0005 Å
• b: 15.4562 ± 0.0002 Å
• c: 16.7757 ± 0.0003 Å
• α: 90°
• β: 91.171 ± 0.001°
• γ: 90°
• Cell volume: 10303.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No