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Information card for entry 4078876
Preview
Coordinates | 4078876.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H36 Cl6 N2 Ti2 |
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Calculated formula | C16 H36 Cl6 N2 Ti2 |
SMILES | C(C)(C)(N(C(C)(C)C)[Ti]1(Cl)(Cl)[Cl][Ti](N(C(C)(C)C)C(C)(C)C)(Cl)(Cl)[Cl]1)C |
Title of publication | Nonagostic M···H‒C Interactions. Synthesis, Characterization, and DFT Study of the Titanium Amide Ti2Cl6[N(t-Bu)2]2 |
Authors of publication | Spicer, Charles W.; Lovitt, Charity Flener; Girolami, Gregory S. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 13 |
Pages of publication | 4894 |
a | 8.581 ± 0.0016 Å |
b | 15.042 ± 0.003 Å |
c | 10.0622 ± 0.0019 Å |
α | 90° |
β | 91.788 ± 0.003° |
γ | 90° |
Cell volume | 1298.2 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0335 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0617 |
Weighted residual factors for all reflections included in the refinement | 0.0639 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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