Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068910
Preview
| Coordinates | 4068910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H58 N4 Zn2 |
|---|---|
| Calculated formula | C46 H58 N4 Zn2 |
| SMILES | C1(=[N](c2c(cc(cc2C)C)C)[Zn](N(C(=C1)C)c1c(cc(cc1C)C)C)[Zn]1N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)C |
| Title of publication | Dizincocene as a Building Block for Novel Zn−Zn-Bonded Compounds? |
| Authors of publication | Schulz, Stephan; Schuchmann, Daniella; Westphal, Ulrich; Bolte, Michael |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 5 |
| Pages of publication | 1590 |
| a | 13.4527 ± 0.001 Å |
| b | 8.3904 ± 0.0007 Å |
| c | 19.4814 ± 0.0014 Å |
| α | 90° |
| β | 103.768 ± 0.006° |
| γ | 90° |
| Cell volume | 2135.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4068910.cif |
| 178579 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89. |
4068910.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4068910.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068910.cif |
| 40038 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068910 via cif-deposit CGI script. |
4068910.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.