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Information card for entry 4343701
Preview
| Coordinates | 4343701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H42 N6 Ni2 O2 S4 |
|---|---|
| Calculated formula | C46 H42 N6 Ni2 O2 S4 |
| SMILES | C1c2c(S[Ni]34[N]=1c1cccc([N]5=Cc6c(cccc6)S[Ni]65Sc5c(C=[N]6c6cccc([N]3=Cc3c(S4)cccc3)c6)cccc5)c1)cccc2.C(=O)N(C)C.C(=O)N(C)C |
| Title of publication | Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions. |
| Authors of publication | Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 15 |
| Pages of publication | 7653 - 7659 |
| a | 9.5835 ± 0.0005 Å |
| b | 11.9723 ± 0.0006 Å |
| c | 18.4742 ± 0.0009 Å |
| α | 90° |
| β | 102.351 ± 0.001° |
| γ | 90° |
| Cell volume | 2070.61 ± 0.18 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
4343701.cif |
| 152806 | 2015-08-05 | cif/ Updating files of 4343698, 4343699, 4343700, 4343701 Original log message: Adding full bibliography for 4343698--4343701.cif. |
4343701.cif |
| 146542 | 2015-07-12 | cif/ Adding structures of 4343698, 4343699, 4343700, 4343701 via cif-deposit CGI script. |
4343701.cif |
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Users of the data should acknowledge the original authors of the
structural data.