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Information card for entry 4337054
Preview
Coordinates | 4337054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 Cl22.09 |
---|---|
Calculated formula | C88 Cl22.087 |
SMILES | ClC12c3c4c5C6(Cl)c7c1c1c8C2(Cl)C2(Cl)c3c3c9c4c4c%10c5C5(Cl)C6(Cl)c6c7c7c1c1c%11c8C8(Cl)C2=C2c3c3c%12c9c9c4c4C%10(Cl)C%10(Cl)C5(Cl)c5c6c6c7c7C1(Cl)C1=C%13C%11(Cl)c%11c8c2c2C3(Cl)C3C%12(Cl)c8c9c9c4C4(Cl)C%10(Cl)c5c5c6c6c7C1(Cl)c1c7C%13(Cl)c%11c2C2(Cl)C=3C3(Cl)c8c8c9C4(Cl)c5c4c6c1c(C84Cl)c3c72 |
Title of publication | Cage Shrinkage of Fullerene via a C2 Loss: from IPR C90(28)Cl24 to Nonclassical, Heptagon-Containing C88Cl22/24 |
Authors of publication | Ilya N. Ioffe; Olga N. Mazaleva; Lev N. Sidorov; Shangfeng Yang; Tao Wei; Erhard Kemnitz; Sergey I. Troyanov |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 13821 - 13823 |
a | 12.777 ± 0.001 Å |
b | 23.0058 ± 0.0008 Å |
c | 21.095 ± 0.001 Å |
α | 90° |
β | 98.35 ± 0.01° |
γ | 90° |
Cell volume | 6135 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0892 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1226 |
Weighted residual factors for all reflections included in the refinement | 0.1346 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.87313 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/4337054.html
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