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Information card for entry 7001560
Preview
Coordinates | 7001560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C112 H80 Bi8 O20 |
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Calculated formula | C112 H80 Bi8 O20 |
SMILES | c12c3cccc1Cc1c4c(ccc1)Cc1cccc5c1[O]1[Bi]6(O2)([O]2[Bi]789[O]%10[Bi]%11%12%13Oc%14c(Cc%15cccc(Cc%16cccc(C3)c2%16)c%10%15)cccc%14Cc2cccc(Cc3cccc(C5)c3[O]%12[Bi]351[O]67[Bi]167[O]%10[Bi]%12%14%15[O]%16[Bi]%17([O]8%113)([O]91%15)[O]1[Bi]38(Oc9c%11Cc%15c1c(Cc1c%16c(ccc1)Cc1cccc(c1O%12)Cc1cccc(c1O%14)Cc1cccc(c%101)Cc1cccc(Cc%10cccc(Cc9ccc%11)c%10O3)c1[O]68)ccc%15)[O]57%17)c2O%13)O4 |
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 | 30.287 ± 0.006 Å |
b | 21.769 ± 0.004 Å |
c | 22.432 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 14790 ± 5 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1569 |
Residual factor for significantly intense reflections | 0.1159 |
Weighted residual factors for significantly intense reflections | 0.259 |
Weighted residual factors for all reflections included in the refinement | 0.2805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7001560.html
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