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Information card for entry 4325698
Preview
Coordinates | 4325698.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H48 Cl3 Lu N4 Ti3 |
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Calculated formula | C30 H48 Cl3 Lu N4 Ti3 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ti]162345N2[Ti]34578([c]9([c]3([c]4([c]5([c]79C)C)C)C)C)[NH]1[Lu]1(Cl)(Cl)(Cl)[NH]6[Ti]34562([c]2([c]6([c]5([c]4([c]32C)C)C)C)C)[NH]81)C)C)C)C |
Title of publication | Molecular Nitrides with Titanium and Rare-Earth Metals |
Authors of publication | Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6798 - 6808 |
a | 11.118 ± 0.003 Å |
b | 17.895 ± 0.003 Å |
c | 37.373 ± 0.005 Å |
α | 90° |
β | 94.199 ± 0.015° |
γ | 90° |
Cell volume | 7416 ± 3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1254 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1625 |
Weighted residual factors for all reflections included in the refinement | 0.194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
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/4325698.html
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Users of the data should acknowledge the original authors of the
structural data.