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Information card for entry 4108693
Preview
Coordinates | 4108693.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 Cl10 |
---|---|
Calculated formula | C56 Cl10 |
SMILES | ClC12c3c4c5C1(Cl)c1c6c7c8c9c%10c7c7c1C1(Cl)C%11(Cl)c%12c(c51)c1c4c4c5c3C3(Cl)c(c8c8c%13c%14c%15c%16C(Cl)(C5(Cl)c%15c38)c4c3c1c1c%12C4(Cl)c(c%10c5c(c9%13)c%14c8c%16C3(Cl)C1(Cl)c8c45)c7%11)c26 |
Title of publication | An Entrant of Smaller Fullerene: C56 Captured by Chlorines and Aligned in Linear Chains |
Authors of publication | Yuan-Zhi Tan; Xiao Han; Xin Wu; Ye-Yong Meng; Feng Zhu; Zhuo-Zhen Qian; Zhao-Jiang Liao; Ming-Hui Chen; Xin Lu; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 15240 - 15241 |
a | 18.7599 ± 0.0013 Å |
b | 13.4186 ± 0.0009 Å |
c | 13.8694 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3491.4 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 2 |
Space group number | 63 |
Hermann-Mauguin space group symbol | C m c m |
Hall space group symbol | -C 2c 2 |
Residual factor for all reflections | 0.0742 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
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/4108693.html
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Users of the data should acknowledge the original authors of the
structural data.