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Information card for entry 7001556
Preview
Coordinates | 7001556.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C112 H126 Bi2 O21 |
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Calculated formula | C112 H122 Bi2 O21 |
SMILES | c12c3cccc1Cc1cccc4c1O[Bi]1(O2)Oc2c(cccc2C4)Cc2cccc(c2O)Cc2c(c(ccc2)Cc2cccc(c2O)C3)[OH][Bi]23Oc4c5cccc4Cc4cccc(c4O2)Cc2cccc(c2O3)Cc2cccc(c2O)Cc2c([OH]1)c(ccc2)Cc1cccc(c1O)C5.C1CCCO1.C1CCCO1.C1CCCO1.C1OCCC1.O.C1CCCO1.C1CCCO1.C1CCCO1.O |
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 | 13.94 ± 0.003 Å |
b | 24.307 ± 0.005 Å |
c | 29.061 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9847 ± 4 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1371 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.0876 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.858 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.