Information card for entry 7001565

Structure parameters

• Formula: C140 H112 Bi4 O12
• Calculated formula: C140 H110 Bi4 O12
• SMILES: c12c3cc(cc1Cc1c4O[Bi]567[O]2[Bi]289Oc%10c(Cc4cc(c1)Cc1ccccc1)cc(cc%10Cc1c4O[Bi]%10%11([O]%12c%13c%14Cc%15cc(cc%16Cc%17c(O6)c(cc(c%17)Cc6ccccc6)Cc6cc(cc(Cc%17cc(cc(Cc%13cc(c%14)Cc%13ccccc%13)c%17O%10)Cc%10ccccc%10)c6O[Bi]%12([O]5c%15%16)([O]72)[O]9%11)Cc2ccccc2)Cc2ccccc2)[O]8c2c(Cc4cc(c1)Cc1ccccc1)cc(cc2C3)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• 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: 34.222 ± 0.007 Å
• b: 19.487 ± 0.004 Å
• c: 19.805 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13208 ± 5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No