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Information card for entry 8000116
Preview
| Coordinates | 8000116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 Cl N4 Ni S2 |
|---|---|
| Calculated formula | C22 H21 Cl N4 Ni S2 |
| SMILES | [Ni]12([S]=C(c3n2c(cc3)C(=[S]1)NCc1ccccc1)NCc1ccccc1)Cl.N#CC |
| Title of publication | Synthesis and Structural Features of a Series of κ3SNS Pincer Complexes of Group 10 Metals σ-Bonded to Centered Pyrrolate Unit |
| Authors of publication | Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu |
| Journal of publication | Chemistry Letters |
| Year of publication | 2006 |
| Journal volume | 35 |
| Journal issue | 6 |
| Pages of publication | 558 |
| a | 8.606 ± 0.0013 Å |
| b | 16.319 ± 0.002 Å |
| c | 15.875 ± 0.002 Å |
| α | 90° |
| β | 98.0019 ± 0.0008° |
| γ | 90° |
| Cell volume | 2207.8 ± 0.5 Å3 |
| Cell temperature | 113.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for all reflections included in the refinement | 0.0289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000116.cif |
| 94265 | 2014-01-22 | cif/ Adding structures of 8000115, 8000116 via cif-deposit CGI script. |
8000116.cif |
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Users of the data should acknowledge the original authors of the
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