Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070605
Preview
Coordinates | 4070605.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H26 B7 Co2 Fe O9 P |
---|---|
Calculated formula | C19 H26 B7 Co2 Fe O9 P |
SMILES | [Fe]1234([C]56([BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[CH]691)OC[C]12=[CH]3[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[P](CC)(CC)CC |
Title of publication | A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies |
Authors of publication | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 5 |
Pages of publication | 908 |
a | 7.5362 ± 0.0003 Å |
b | 8.3695 ± 0.0004 Å |
c | 23.0178 ± 0.001 Å |
α | 84.158 ± 0.002° |
β | 83.378 ± 0.003° |
γ | 83.582 ± 0.002° |
Cell volume | 1427.28 ± 0.11 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0587 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0674 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/4070605.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.