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Information card for entry 2236836
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| Coordinates | 2236836.cif |
|---|---|
| Structure factors | 2236836.hkl |
| Original IUCr paper | HTML |
| Chemical name | (η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate |
|---|---|
| Formula | C33 H42 Cl2 P Ru |
| Calculated formula | C33 H42 Cl2 P Ru |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456(Cl)([P](C1CCCCC1)(c1ccccc1)C1CCCCC1)Cl.c1ccccc1.c1ccccc1 |
| Title of publication | (η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate |
| Authors of publication | Muller, Alfred; Davis, Wade L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1446 - m1447 |
| a | 10.0893 ± 0.0008 Å |
| b | 10.8325 ± 0.0009 Å |
| c | 14.4937 ± 0.0012 Å |
| α | 90.346 ± 0.002° |
| β | 91.748 ± 0.001° |
| γ | 106.979 ± 0.001° |
| Cell volume | 1514.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0203 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0465 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181290 (current) | 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 2/23/68. |
2236836.cif 2236836.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. |
2236836.cif 2236836.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236836.cif 2236836.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236836.cif 2236836.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236836.cif 2236836.hkl |
| 71087 | 2013-01-18 | cif/ Adding structures of 2236836 via cif-deposit CGI script. |
2236836.cif |
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Users of the data should acknowledge the original authors of the
structural data.