Information card for entry 7001566

Structure parameters

• Formula: C41 H32 O6 Sb2
• Calculated formula: C41 H32 O6 Sb2
• SMILES: [Sb]12Oc3c4cccc3Cc3c(O2)c(ccc3)Cc2c3O[Sb](Oc5c(Cc3ccc2)cccc5Cc2c(O)c(C4)ccc2)O1.c1ccccc1
• Title of publication: Synthesis, X-ray structures and reactivity of calix[5]arene bismuth(iii) and antimony(iii) complexes
• Authors of publication: Mendoza-Espinosa, Daniel; Hanna, Tracy A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5211 - 5225
• a: 14.538 ± 0.002 Å
• b: 18.489 ± 0.002 Å
• c: 25.417 ± 0.003 Å
• α: 90°
• β: 105.258 ± 0.003°
• γ: 90°
• Cell volume: 6591.1 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No