Information card for entry 7001559

Structure parameters

• Formula: C188 H271 Bi4 O27
• Calculated formula: C186 H262 Bi4 O26
• 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: 17.5399 ± 0.0013 Å
• b: 30.33 ± 0.002 Å
• c: 34.753 ± 0.003 Å
• α: 90°
• β: 102.429 ± 0.001°
• γ: 90°
• Cell volume: 18055 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No