Information card for entry 7040045

Structure parameters

• Formula: C264 H316 Bi10 O32
• Calculated formula: C264 H316 Bi10 O32
• SMILES: c12c3cc(cc1Cc1cc(cc(c1OCc1ccccc1)Cc1c([O-])c(Cc4cc(cc(c4[O-])Cc4cc(cc(c4O[Bi](O2)[O]24[Bi]56[O]7[Bi]82[O]2[Bi]9%10[O]%11[Bi]7([O]89[Bi]7Oc8c9cc(cc8Cc8cc(cc(c8OCc8ccccc8)Cc8cc(C(C)(C)C)cc(c8[O-])Cc8cc(cc(c8[O-])Cc8cc(cc(c8O7)C9)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]6([Bi]6%11[O]5[Bi]42[O]%106[Bi]2Oc4c5cc(cc4Cc4cc(cc(c4OCc4ccccc4)Cc4cc(C(C)(C)C)cc(c4[O-])Cc4cc(cc(c4[O-])Cc4cc(cc(c4O2)C5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Bi]2Oc4c5cc(cc4Cc4cc(cc(c4OCc4ccccc4)Cc4cc(C(C)(C)C)cc(c4[O-])Cc4cc(cc(c4[O-])Cc4cc(cc(c4O2)C5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C3)C(C)(C)C)C(C)(C)C)cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and characterization of a Bi10O8(OAr)16 oxo-cluster supported by p-tert-butylcalix[5]arene ligands.
• Authors of publication: Mendoza-Espinosa, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13399 - 13405
• a: 23.749 ± 0.006 Å
• b: 23.749 ± 0.006 Å
• c: 24.831 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14005 ± 5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213.15 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No