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Information card for entry 2001157
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Coordinates | 2001157.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | trans-tetrachlorobis(hexamethylphosphoric triamide)titanium |
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Formula | C12 H36 Cl4 N6 O2 P2 Ti |
Calculated formula | C12 H36 Cl4 N6 O2 P2 Ti |
SMILES | [O](=P(N(C)C)(N(C)C)N(C)C)[Ti](Cl)(Cl)([O]=P(N(C)C)(N(C)C)N(C)C)(Cl)Cl |
Title of publication | Structure of monomeric [TiCl~4~(hexamethylphosphoric triamide)~2~] |
Authors of publication | Clegg, W.; O'Neil, P. A.; Henderson, K. W.; Mulvey, R. E. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1993 |
Journal volume | 49 |
Journal issue | 12 |
Pages of publication | 2108 - 2109 |
a | 8.737 ± 0.003 Å |
b | 10.096 ± 0.004 Å |
c | 14.093 ± 0.006 Å |
α | 90° |
β | 96.05 ± 0.03° |
γ | 90° |
Cell volume | 1236.2 ± 0.8 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 0.5 K |
Number of distinct elements | 7 |
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 | 0.0852 |
Residual factor for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections | 0.226 |
Goodness-of-fit parameter for all reflections | 1.12 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2001157.html
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