Information card for entry 7001042

Structure parameters

• Formula: C56 H64 O4
• Calculated formula: C56 H64 O4
• 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: 11.2014 ± 0.0006 Å
• b: 13.8433 ± 0.0007 Å
• c: 17.0902 ± 0.0009 Å
• α: 79.184 ± 0.003°
• β: 84.737 ± 0.003°
• γ: 66.21 ± 0.002°
• Cell volume: 2381.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No