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Information card for entry 2241333
Preview
| Coordinates | 2241333.cif |
|---|---|
| Structure factors | 2241333.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1-(3-Ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>](triphenylphosphane-κ<i>P</i>)nickel(II) |
|---|---|
| Formula | C34 H30 N3 Ni O2 P S |
| Calculated formula | C34 H30 N3 Ni O2 P S |
| Title of publication | Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>](triphenylphosphane-κ<i>P</i>)nickel(II) |
| Authors of publication | Karpagam, B.; Chakkaravarthi, G.; Rajagopal, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m230 - m231 |
| a | 9.729 ± 0.0002 Å |
| b | 12.977 ± 0.0003 Å |
| c | 14.012 ± 0.0002 Å |
| α | 62.958 ± 0.001° |
| β | 73.756 ± 0.002° |
| γ | 71.654 ± 0.001° |
| Cell volume | 1475.91 ± 0.05 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241333.cif 2241333.hkl |
| 170451 | 2015-11-22 | cif/ hkl/ Adding structures of 2241333 via cif-deposit CGI script. |
2241333.cif 2241333.hkl |
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Users of the data should acknowledge the original authors of the
structural data.