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Information card for entry 4114587
Preview
| Coordinates | 4114587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H47 B F20 N2 Ru2 |
|---|---|
| Calculated formula | C52 H47 B F20 N2 Ru2 |
| SMILES | [Ru]123456([N]7(C(C)C)[Ru]89%10%11([N]1(=[C]27C)C(C)C)[c]1([c]9([c]8([c]%11([c]%101C)C)C)C)C)[c]1([c]4([c]5([c]6([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 | 14.177 ± 0.0005 Å |
| b | 15.2535 ± 0.0004 Å |
| c | 23.5483 ± 0.0008 Å |
| α | 90° |
| β | 92.711 ± 0.001° |
| γ | 90° |
| Cell volume | 5086.6 ± 0.3 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 | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178916 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/45. |
4114587.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114587.cif |
| 67918 | 2012-10-09 | cif/ Adding structures of 4114587 via cif-deposit CGI script. |
4114587.cif |
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