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Information card for entry 4112172
Preview
Coordinates | 4112172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H37 Li N4 O |
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Calculated formula | C33 H37 Li N4 O |
SMILES | [O]1(CCCC1)[Li]123456[n]7n(C(n8[n]1c(cc8C)C)C([c]12[cH]3[cH]4[cH]5[cH]61)(c1ccccc1)c1ccccc1)c(cc7C)C |
Title of publication | An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand |
Authors of publication | Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 1330 - 1331 |
a | 16.576 ± 0.003 Å |
b | 11.509 ± 0.004 Å |
c | 17.059 ± 0.002 Å |
α | 90° |
β | 115.36 ± 0.02° |
γ | 90° |
Cell volume | 2940.8 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.3313 |
Residual factor for significantly intense reflections | 0.0745 |
Weighted residual factors for significantly intense reflections | 0.1333 |
Weighted residual factors for all reflections included in the refinement | 0.1996 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
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/4112172.html
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