Information card for entry 7001555

Structure parameters

• Formula: C140 H182 Bi2 O14
• Calculated formula: C132 H162 Bi2 O12
• 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: 14.536 ± 0.003 Å
• b: 16.592 ± 0.003 Å
• c: 17.299 ± 0.003 Å
• α: 117.87 ± 0.003°
• β: 107.174 ± 0.003°
• γ: 94.819 ± 0.003°
• Cell volume: 3399.9 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No