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Information card for entry 4068569
Preview
| Coordinates | 4068569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H33 B I3 N8 P Ru |
|---|---|
| Calculated formula | C32 H33 B I3 N8 P Ru |
| SMILES | [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)([NH]=CC=C)[N]#CC.I[I-]I |
| Title of publication | Synthesis and Reactivity of Ruthenium Azido Complexes Containing a Hydridotris(pyrazolyl)borate Ligand and Dimerization of Terminal Alkynes in Organic and Aqueous Media |
| Authors of publication | Chen, Chien-Kai; Tong, Hung-Chun; Chen Hsu, Chih-Yung; Lee, Chia-Yi; Fong, Yih Hsuan; Chuang, Yao-Shun; Lo, Yih-Hsing; Lin, Ying-Chih; Wang, Yu |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 12 |
| Pages of publication | 3358 |
| a | 10.9119 ± 0.0002 Å |
| b | 13.033 ± 0.0003 Å |
| c | 15.0779 ± 0.0003 Å |
| α | 92.503 ± 0.002° |
| β | 104.852 ± 0.002° |
| γ | 108.897 ± 0.002° |
| Cell volume | 1942.04 ± 0.08 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4068569.cif |
| 178575 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85. |
4068569.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068569.cif |
| 39880 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068569 via cif-deposit CGI script. |
4068569.cif |
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