Information card for entry 7001569

Structure parameters

• Formula: C62 H87 O9.5 S3.5 Sb2
• Calculated formula: C59 H78 O8 S2 Sb2
• 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: 29.948 ± 0.004 Å
• b: 29.948 ± 0.004 Å
• c: 31.765 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28489 ± 9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1921
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2801
• Weighted residual factors for all reflections included in the refinement: 0.3185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No