Information card for entry 7050200

Structure parameters

• Formula: C68 H54 Co4 O8 P4
• Calculated formula: C68 H54 Co4 O8 P4
• 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: 9.9757 ± 0.0002 Å
• b: 35.2755 ± 0.0008 Å
• c: 17.6562 ± 0.0004 Å
• α: 90°
• β: 106.167 ± 0.009°
• γ: 90°
• Cell volume: 5967.5 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.271
• Weighted residual factors for significantly intense reflections: 0.0997
• Goodness-of-fit parameter for all reflections: 1.131
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No