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Information card for entry 4063427
Preview
| Coordinates | 4063427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H67 B Ir N3 O Ru |
|---|---|
| Calculated formula | C47 H67 B Ir N3 O Ru |
| SMILES | [Ir]1234567([Ru]89([H]5)([H]6)([H]7)[N]5(CC[N]8(CC[N]9(CC5)C)C)C)[c]5([c]4([c]3([c]2([c]15CC)C)C)C)C.O=C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and Structure of a Novel Ruthenium Hydrido Bis(dihydrogen) Complex with 1,4,7-Trimethyl-1,4,7-triazacyclononane Ligand: A Useful Precursor for Synthesis of Heterometallic Complexes |
| Authors of publication | Shima, Takanori; Namura, Kyo; Kameo, Hajime; Kakuta, Satoshi; Suzuki, Hiroharu |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 337 |
| a | 13.6186 ± 0.0019 Å |
| b | 15.153 ± 0.002 Å |
| c | 11.441 ± 0.002 Å |
| α | 94.572 ± 0.018° |
| β | 107.21 ± 0.012° |
| γ | 89.502 ± 0.014° |
| Cell volume | 2247.8 ± 0.6 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178529 (current) | 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 4/06/34. |
4063427.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063427.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063427.cif |
| 19487 | 2011-05-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4063426, 4063427, 4063428, 4063429, 4063430 via cif-deposit CGI script. |
4063427.cif |
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