Information card for entry 7001045

Structure parameters

• Formula: C80 H64 Co8 O28
• Calculated formula: C80 H64 Co8 O28
• Title of publication: Synthesis of mono-, di- and tetra-alkyne functionalized calix[4]arenes: Reactions of these multipodal ligands with dicobalt octacarbonyl to give complexes which contain up to eight cobalt atoms
• Authors of publication: Chetcuti, Michael J.; Devoille, Aline M. J.; Othman, Amel Ben; Souane, Rachid; Thuéry, Pierre; Vicens, Jacques
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2999 - 3008
• a: 14.0934 ± 0.0003 Å
• b: 29.5203 ± 0.0008 Å
• c: 22.3018 ± 0.0004 Å
• α: 90°
• β: 114.046 ± 0.001°
• γ: 90°
• Cell volume: 8473.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No