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Information card for entry 7038957
Preview
Coordinates | 7038957.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sc2O@C70/NiOEP/0.50(bz)1.50(CF) |
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Formula | C110.5 H48.5 Cl4.5 N4 Ni O Sc2 |
Calculated formula | C110.48 H48.48 Cl4.512 N4 Ni O Sc2.0008 |
Title of publication | Endohedrally stabilized C70 isomer with fused pentagons characterized by crystallography. |
Authors of publication | Feng, Lai; Zhang, Meirong; Hao, Yajuan; Tang, Qiangqiang; Chen, Ning; Slanina, Zdeněk; Uhlík, Filip |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 19 |
Pages of publication | 8142 - 8148 |
a | 14.452 ± 0.003 Å |
b | 14.462 ± 0.003 Å |
c | 18.805 ± 0.004 Å |
α | 86.3 ± 0.03° |
β | 87.93 ± 0.03° |
γ | 62.15 ± 0.03° |
Cell volume | 3467.8 ± 1.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1227 |
Residual factor for significantly intense reflections | 0.1086 |
Weighted residual factors for significantly intense reflections | 0.2953 |
Weighted residual factors for all reflections included in the refinement | 0.3091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7038957.html
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Users of the data should acknowledge the original authors of the
structural data.