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Information card for entry 2228746
Preview
Coordinates | 2228746.cif |
---|---|
Structure factors | 2228746.hkl |
Original IUCr paper | HTML |
Chemical name | Dichlorido(<i>N</i>,<i>N</i>'-diisopropylpiperidine-1-carboximidamidato- κ^2^<i>N</i>,<i>N</i>')titanium(IV) |
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Formula | C24 H48 Cl2 N6 Ti |
Calculated formula | C24 H48 Cl2 N6 Ti |
SMILES | [Ti]12(Cl)(Cl)([N](=C(N1C(C)C)N1CCCCC1)C(C)C)[N](=C(N2C(C)C)N1CCCCC1)C(C)C |
Title of publication | Dichlorido(<i>N</i>,<i>N</i>'-diisopropylpiperidine-1-carboximidamidato-κ^2^<i>N</i>,<i>N</i>')titanium(IV) |
Authors of publication | Wang, Mei; Yao, Ying-Ming; Zhang, Yong; Zhang, Zhen-Qin; Shi, Li-Ying |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m125 |
a | 8.281 ± 0.0003 Å |
b | 13.3678 ± 0.0009 Å |
c | 13.6178 ± 0.0007 Å |
α | 86.266 ± 0.01° |
β | 75.841 ± 0.008° |
γ | 82.304 ± 0.008° |
Cell volume | 1447.69 ± 0.15 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0486 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228746.html
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Users of the data should acknowledge the original authors of the
structural data.