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Information card for entry 4068700
Preview
| Coordinates | 4068700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H51 Ir Ru2 |
|---|---|
| Calculated formula | C31 H51 Ir Ru2 |
| SMILES | [Ir]1234567([Ru]89%10%11%12%13([H]6)([Ru]6%14%15%161([H]7)([H]%12)([H]%13)[c]1([c]%14([c]%15([c]%16([c]61C)C)C)C)C)[c]1([c]%10([c]%11([c]8([c]91C)C)C)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)CC |
| Title of publication | Heterometallic Trinuclear Polyhydrido Complexes Containing Ruthenium and a Group 9 Metal, [Cp*3Ru2M(μ3-H)(μ-H)3] (M = Ir or Rh; Cp* = η5-C5Me5): Synthesis, Structure, and Site Selectivity in Reactions with Phosphines |
| Authors of publication | Shima, Takanori; Sugimura, Yumi; Suzuki, Hiroharu |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 3 |
| Pages of publication | 871 |
| a | 11.143 ± 0.007 Å |
| b | 15.51 ± 0.005 Å |
| c | 11.115 ± 0.005 Å |
| α | 93.39 ± 0.04° |
| β | 118.53 ± 0.04° |
| γ | 69.23 ± 0.04° |
| Cell volume | 1563.8 ± 1.6 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178577 (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 4/06/87. |
4068700.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068700.cif |
| 39937 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068700, 4068701, 4068702 via cif-deposit CGI script. |
4068700.cif |
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