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Information card for entry 4084357
Preview
| Coordinates | 4084357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 7-Ni |
|---|---|
| Formula | C51 H56 Ag2 Cl4 N6 Ni O2 |
| Calculated formula | C51 H56 Ag2 Cl4 N6 Ni O2 |
| SMILES | [Ag](Cl)=C1N2Cc3c4O[Ni]56[N]([C@@H]7CCCC[C@H]7[N]5=Cc5cc(cc(c5O6)CN5C(=[Ag]Cl)N(C=C5)c5c(c(ccc5)C)c5c(N1C=C2)cccc5C)C(C)(C)C)=Cc4cc(c3)C(C)(C)C.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 | 12.5384 ± 0.001 Å |
| b | 14.2391 ± 0.0012 Å |
| c | 29.279 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5227.3 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0842 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
4084357.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. |
4084357.cif |
| 127233 | 2014-11-12 | cif/ Updating files of 4084357, 4084358, 4084359 Original log message: Adding full bibliography for 4084357--4084359.cif. |
4084357.cif |
| 123319 | 2014-09-07 | cif/ Adding structures of 4084357, 4084358, 4084359 via cif-deposit CGI script. |
4084357.cif |
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