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Information card for entry 4064369
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Coordinates | 4064369.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cp*Ti(NNPh2)(NHtBu)py |
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Formula | C31 H40 N4 Ti |
Calculated formula | C31 H40 N4 Ti |
SMILES | [Ti]1234(=NN(c5ccccc5)c5ccccc5)(NC(C)(C)C)([n]5ccccc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C |
Title of publication | New Sandwich and Half-Sandwich Titanium Hydrazido Compounds |
Authors of publication | Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 8 |
Pages of publication | 2295 |
a | 9.9483 ± 0.0004 Å |
b | 11.999 ± 0.0005 Å |
c | 13.5345 ± 0.0006 Å |
α | 74.7095 ± 0.0017° |
β | 70.4567 ± 0.0017° |
γ | 73.849 ± 0.002° |
Cell volume | 1436.21 ± 0.11 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1031 |
Residual factor for significantly intense reflections | 0.0692 |
Weighted residual factors for all reflections | 0.1099 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0742 |
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/4064369.html
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Users of the data should acknowledge the original authors of the
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