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Information card for entry 7040045
Preview
Coordinates | 7040045.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C264 H316 Bi10 O32 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7040045.html
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