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Information card for entry 7000972
Preview
Coordinates | 7000972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 F40 |
---|---|
Calculated formula | C86 F40 |
SMILES | FC(F)(C12c3c4c5c6c7c3c3c8C9C7(c7c6c6c%10c5c5c%11c4c1c1C4(C%12=C2c3c2c3c8c8C=9C9(c7c7c6c6c%10c%10c5c5c%11c1C1=C4C4(c(c%122)c2c3c3c8C8(C9=C7C7(c6c6c%10c9c5C1(c1c4c2c2c(c91)c6c7c8c32)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F |
Title of publication | Synthesis and molecular structure of pentafluoroethyl derivatives of C70: C70(C2F5)8 and C70(C2F5)10 |
Authors of publication | Tamm, Nadezhda B.; Ioffe, Ilya N.; Kemnitz, Erhard; Troyanov, Sergey I. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 15 |
Pages of publication | 2740 - 2745 |
a | 9.9629 ± 0.0001 Å |
b | 14.8044 ± 0.0001 Å |
c | 21.7315 ± 0.0002 Å |
α | 109.818 ± 0.0003° |
β | 93.5762 ± 0.0004° |
γ | 103.488 ± 0.0005° |
Cell volume | 2897 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 2 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1206 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.905 Å |
Diffraction radiation type | synchrotron |
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/7000972.html
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Users of the data should acknowledge the original authors of the
structural data.