Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084358
Preview
| Coordinates | 4084358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 7-Pd |
|---|---|
| Formula | C52 H58 Ag2 Cl6 N6 O2 Pd |
| Calculated formula | C52 H58 Ag2 Cl6 N6 O2 Pd |
| SMILES | [Ag](Cl)=C1N2Cc3c(O[Pd]456)c(C=[N]5[C@H]5[C@@H](CCCC5)[N]4=Cc4c(O6)c(cc(c4)C(C)(C)C)CN4C(=[Ag]Cl)N(C=C4)c4c(c5c(N1C=C2)cccc5C)c(ccc4)C)cc(c3)C(C)(C)C.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes |
| Authors of publication | Mechler, Melanie; Frey, Wolfgang; Peters, René |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 19 |
| Pages of publication | 5492 |
| a | 12.8207 ± 0.0007 Å |
| b | 14.4012 ± 0.0009 Å |
| c | 28.6348 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5286.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178732 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/43. |
4084358.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4084358.cif |
| 127233 | 2014-11-12 | cif/ Updating files of 4084357, 4084358, 4084359 Original log message: Adding full bibliography for 4084357--4084359.cif. |
4084358.cif |
| 123319 | 2014-09-07 | cif/ Adding structures of 4084357, 4084358, 4084359 via cif-deposit CGI script. |
4084358.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.