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Information card for entry 4303276
Preview
| Coordinates | 4303276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [ReNPPh3(PhC(NNCSNC6H12)NCSNEt2)] |
|---|---|
| Chemical name | N-(N',N'-Diethylaminothiocarbonyl)-N''-(N-1-Hexamethyleneimine carbothioamide)benzamidinato(triphenylphosphine)nitridorhenium(V) |
| Formula | C37 H42 N6 P Re S2 |
| Calculated formula | C37 H42 N6 P Re S2 |
| SMILES | [Re]12(#N)(SC(=NC(=[N]1N=C(S2)N1CCCCCC1)c1ccccc1)N(CC)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, Structural Characterization, and Biological Evaluation of Oxorhenium(V) Complexes with a Novel Type of Thiosemicarbazones Derived from N-[N',N'-Dialkylamino(thiocarbonyl)]benzimidoyl Chlorides |
| Authors of publication | Hung Huy Nguyen; Jesudas J. Jegathesh; Pedro I. da S. Maia; Victor M. Deflon; Ronald Gust; Silke Bergemann; Ulrich Abram |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 9356 - 9364 |
| a | 14.763 ± 0.001 Å |
| b | 25.552 ± 0.001 Å |
| c | 20.082 ± 0.001 Å |
| α | 90° |
| β | 107.04 ± 0.01° |
| γ | 90° |
| Cell volume | 7242.9 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179070 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/32. |
4303276.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303276.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303276.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303276.cif |
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