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Information card for entry 7102001
Preview
Coordinates | 7102001.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C140 Cl26 Ti6 |
---|---|
Calculated formula | C140 Cl26 Ti6 |
SMILES | [C+]12c3c4c5c6c7c8c5c5c3c3c9C2(C2%10[C+]%11c%12c%13c%14c%11c%11c%15c%16c%14c%14c%17c%13c%13c%18c%12c%12c2c2c%19c%10c%11c%10c%15c%11c%15c%16c%14c%14c%16c%17c%13c%13c%17c%18c%12c%12c2c2c%18c%19c%10c%10c%11c%11c%19c%15c%14c%14c%15c%16c%13c%13c%16c%17c%12c%12c2c2c%18c%10c%11c%10c2c(c%16%12)c(c%15%13)c%10c%19%14)c2c%10c%11c1c4c1c4c%11c%11c%10c%10c%12c2c9c2c9c3c5c3c8c5c8c7c7c(c61)c4c1c%11c4c%10c6c%10c%12c2c2c%11c9c3c3c5c5c8c8c7c1c1c4c6c4c(c%102)c(c%113)c5c4c81.[Cl]12[Ti]3([Cl][Ti]1([Cl][Ti]2([Cl]3)(Cl)(Cl)Cl)(Cl)(Cl)Cl)(Cl)(Cl)Cl.[Cl]12[Ti]3([Cl][Ti]1([Cl][Ti]2([Cl]3)(Cl)(Cl)Cl)(Cl)(Cl)Cl)(Cl)(Cl)Cl |
Title of publication | Singly-bonded fullerene dimers: neutral (C(60)Cl(5))(2) and cationic (C(70))(2)(2+). |
Authors of publication | Troyanov, Sergey I; Kemnitz, Erhard |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 26 |
Pages of publication | 2707 - 2709 |
a | 10.1848 ± 0.0002 Å |
b | 13.7803 ± 0.0003 Å |
c | 16.7018 ± 0.0004 Å |
α | 86.242 ± 0.001° |
β | 89.054 ± 0.001° |
γ | 79.491 ± 0.001° |
Cell volume | 2299.79 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
Diffraction radiation wavelength | 0.91 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/7102001.html
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