Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4323399
Preview
Coordinates | 4323399.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(tetramethylpiperidino)alanyl-cyclopentadienyl-dicarbonyl-iron |
---|---|
Formula | C25 H41 Al Fe N2 O2 |
Calculated formula | C25 H41 Al Fe N2 O2 |
SMILES | [Fe]1234([Al](N5C(CCCC5(C)C)(C)C)N5C(CCCC5(C)C)(C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O] |
Title of publication | Synthesis and X-ray Crystal Structure of (tmp)2Al-Fe(cp)(CO)2: An Alanyl-Containing Iron Complex with a Tricoordinated Aluminum Atom |
Authors of publication | B. N. Anand; Ingo Krossing; Heinrich Nöth |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 1979 - 1981 |
a | 8.347 ± 0.004 Å |
b | 10.044 ± 0.005 Å |
c | 15.087 ± 0.008 Å |
α | 94.015 ± 0.012° |
β | 91.184 ± 0.008° |
γ | 102.496 ± 0.013° |
Cell volume | 1231 ± 1.1 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0516 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for all reflections | 0.1579 |
Weighted residual factors for significantly intense reflections | 0.1281 |
Goodness-of-fit parameter for all reflections | 1.179 |
Goodness-of-fit parameter for significantly intense reflections | 1.104 |
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/4323399.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.