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Information card for entry 4063281
Preview
Coordinates | 4063281.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H59 Al Cl2 N4 Ti3 |
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Calculated formula | C38 H59 Al Cl2 N4 Ti3 |
SMILES | C[Al]([NH]1[Ti]2345678([c]9([c]2([c]3([c]4([c]59C)C)C)C)C)N2[Ti]3459%107([c]7([c]3([c]4([c]5([c]97C)C)C)C)C)(N6)N[Ti]3456182%10[c]1([c]3([c]4([c]5([c]61C)C)C)C)C)(Cl)Cl.c1(ccccc1)C |
Title of publication | Group 13 and 14 Alkyl Derivatives of the Imido-Nitrido Metalloligand [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] |
Authors of publication | María García-Castro; Avelino Martín; Miguel Mena; Carlos Yélamos |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Pages of publication | 408 - 416 |
a | 18.467 ± 0.005 Å |
b | 11.32 ± 0.005 Å |
c | 20.25 ± 0.005 Å |
α | 90 ± 0.005° |
β | 103.73 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 4112 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0759 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1241 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 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/4063281.html
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Users of the data should acknowledge the original authors of the
structural data.