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Information card for entry 4114589
Preview
| Coordinates | 4114589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H49 B F20 N2 Ru2 |
|---|---|
| Calculated formula | C52 H49 B F20 N2 Ru2 |
| SMILES | [RuH]1234567([Ru]89%10%11%12%13([N]1(=[C]9([N]28C(C)C)C)C(C)C)([c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C)[H]7)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Novel Coordinatively Unsaturated Bimetallic Complexes, [(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(η5-C5Me5)]+: A Bridging Amidinate Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the Highly Reactive Cationic Diruthenium Species |
| Authors of publication | Hideo Kondo; Kouki Matsubara; Hideo Nagashima |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 534 - 535 |
| a | 14.1154 ± 0.0003 Å |
| b | 15.3888 ± 0.0003 Å |
| c | 23.4856 ± 0.0007 Å |
| α | 90° |
| β | 93.466 ± 0.0009° |
| γ | 90° |
| Cell volume | 5092.2 ± 0.2 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4114589.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114589.cif |
| 67920 | 2012-10-09 | cif/ Adding structures of 4114589 via cif-deposit CGI script. |
4114589.cif |
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