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Information card for entry 2239673
Preview
| Coordinates | 2239673.cif |
|---|---|
| Structure factors | 2239673.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate |
|---|---|
| Formula | C33 H40 Cl9 O3 P Ru |
| Calculated formula | C31 H38 Cl3 O3 P Ru |
| SMILES | C(Cl)(Cl)Cl.C1(=O)O[Ru]23456([cH]7[cH]3[cH]4[cH]5[cH]6[cH]72)(O1)[P](Cc1cccc2ccccc12)(C1CCCCC1)C1CCCCC1 |
| Title of publication | (η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate |
| Authors of publication | Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m272 - m273 |
| a | 22.173 ± 0.0004 Å |
| b | 15.1385 ± 0.0003 Å |
| c | 23.6954 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7953.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239673.cif 2239673.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239673.cif 2239673.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239673.cif 2239673.hkl |
| 118110 | 2014-06-26 | cif/ hkl/ Adding structures of 2239673 via cif-deposit CGI script. |
2239673.cif 2239673.hkl |
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