Information card for entry 7001558

Structure parameters

• Formula: C58 H63 O12 Sb3
• Calculated formula: C50 H47 O10 Sb3
• SMILES: [Sb]12(O[Sb]3Oc4c5Cc6c7O[Sb](Oc8c(cccc8Cc7ccc6)Cc6c(O)c(Cc7c(O2)c(Cc2c(O1)c(Cc4ccc5)ccc2)ccc7)ccc6)O3)[O]1CCCC1.C1OCCC1
• Title of publication: Synthesis of bismuth and antimony complexes of the “larger” calix[n]arenes (n = 6‒8); from mononuclear to tetranuclear complexes
• Authors of publication: Mendoza-Espinosa, Daniel; Rheingold, Arnold L.; Hanna, Tracy A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5226 - 5238
• a: 13.617 ± 0.002 Å
• b: 13.864 ± 0.002 Å
• c: 15.698 ± 0.002 Å
• α: 69.825 ± 0.003°
• β: 79.972 ± 0.002°
• γ: 69.98 ± 0.003°
• Cell volume: 2608.4 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No