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Information card for entry 2019282
Preview
| Coordinates | 2019282.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | (1SR,2RS)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~2~HN<i>trop</i>)] |
|---|---|
| Chemical name | Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II) dimethoxyethane hemisolvate |
| Formula | C34 H34 Cl N2 O Ru |
| Calculated formula | C34 H34 Cl N2 O Ru |
| SMILES | O(C)CCOC.C12c3c([CH]4=[CH](c5c1cccc5)[RuH]1564([NH]2CC[NH]1C1c2c([CH]5=[CH]6c4c1cccc4)cccc2)Cl)cccc3 |
| Title of publication | Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations |
| Authors of publication | Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | 1421 - 1426 |
| a | 9.2374 ± 0.0004 Å |
| b | 10.4465 ± 0.0005 Å |
| c | 15.5708 ± 0.0007 Å |
| α | 94.297 ± 0.003° |
| β | 99.725 ± 0.003° |
| γ | 112.661 ± 0.002° |
| Cell volume | 1350.35 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0553 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019282.cif |
| 92098 | 2014-01-12 | cif/ Adding structures of 2019281, 2019282, 2019283 via cif-deposit CGI script. |
2019282.cif |
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Users of the data should acknowledge the original authors of the
structural data.