Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2006297
Preview
Coordinates | 2006297.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Cyclotetra[iodo-methylcyclopentadienyl-μ-oxo-titanium (IV)] |
---|---|
Formula | C24 H28 I4 O4 Ti4 |
Calculated formula | C24 H28 I4 O4 Ti4 |
SMILES | [Ti]1(I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O[Ti](I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O[Ti](I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O[Ti](I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O1 |
Title of publication | <i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)] |
Authors of publication | Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 7 |
Pages of publication | 843 - 845 |
a | 19.239 ± 0.003 Å |
b | 10.5 ± 0.002 Å |
c | 15.696 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3170.7 ± 0.9 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1167 |
Residual factor for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections | 0.186 |
Weighted residual factors for significantly intense reflections | 0.1578 |
Goodness-of-fit parameter for all reflections | 1.018 |
Goodness-of-fit parameter for significantly intense reflections | 1.046 |
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/2006297.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.