Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4078845
Preview
| Coordinates | 4078845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H33 Fe N3 Si2 |
|---|---|
| Calculated formula | C23 H33 Fe N3 Si2 |
| SMILES | c1cccc2c3cccc4[n]3[Fe]([n]12)(C[Si](C)(C)C)([n]1ccccc41)C[Si](C)(C)C |
| Title of publication | Synthesis, Electronic Structure, and Alkene Hydrosilylation Activity of Terpyridine and Bis(imino)pyridine Iron Dialkyl Complexes |
| Authors of publication | Tondreau, Aaron M.; Atienza, Crisita Carmen Hojilla; Darmon, Jonathan M.; Milsmann, Carsten; Hoyt, Helen M.; Weller, Keith J.; Nye, Susan A.; Lewis, Kenrick M.; Boyer, Julie; Delis, Johannes G. P.; Lobkovsky, Emil; Chirik, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 13 |
| Pages of publication | 4886 |
| a | 16.1666 ± 0.001 Å |
| b | 9.6372 ± 0.0006 Å |
| c | 15.9377 ± 0.0012 Å |
| α | 90° |
| β | 91.543 ± 0.002° |
| γ | 90° |
| Cell volume | 2482.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178677 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88. |
4078845.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078845.cif |
| 66411 | 2012-09-09 | cif/ Adding structures of 4078845 via cif-deposit CGI script. |
4078845.cif |
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.