Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4323485
Preview
Coordinates | 4323485.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H40 Fe4 N2 O16 Tl2 |
---|---|
Calculated formula | C32 H40 Fe4 N2 O16 Tl2 |
SMILES | C(C)[N+](CC)(CC)CC.C([Fe](C#[O])(C#[O])(C#[O])[Tl]1[Fe](C#[O])(C#[O])(C#[O])(C#[O])[Tl]([Fe]1(C#[O])(C#[O])(C#[O])C#[O])[Fe](C#[O])(C#[O])(C#[O])C#[O])#[O].C(C)[N+](CC)(CC)CC |
Title of publication | Solution Dynamics of Thallium-Metal Carbonyl Compounds Using 205Tl NMR Spectroscopy |
Authors of publication | Jaap W. van Hal; Lawrence B. Alemany; Kenton H. Whitmire |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 3152 - 3159 |
a | 8.902 ± 0.002 Å |
b | 21.405 ± 0.004 Å |
c | 12.084 ± 0.003 Å |
α | 90° |
β | 106.89 ± 0.03° |
γ | 90° |
Cell volume | 2203.3 ± 0.9 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for all reflections | 0.2255 |
Weighted residual factors for significantly intense reflections | 0.0926 |
Goodness-of-fit parameter for all reflections | 1.1 |
Goodness-of-fit parameter for significantly intense reflections | 1.076 |
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/4323485.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.