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Information card for entry 2229939
Preview
| Coordinates | 2229939.cif |
|---|---|
| Structure factors | 2229939.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']chlorido(η^5^- indenyl)ruthenium(II) |
|---|---|
| Formula | C37 H35 Cl P2 Ru |
| Calculated formula | C37 H35 Cl P2 Ru |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)CCCC[P](c2ccccc2)(c2ccccc2)[Ru]23451([c]16[c]5([cH]4[cH]3[cH]21)cccc6)Cl |
| Title of publication | [1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']chlorido(η^5^-indenyl)ruthenium(II) |
| Authors of publication | Sung, Hui-Ling; Her, Tze-Min; Su, Wen-Hsien; Cheng, Chin-Pao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m641 |
| a | 12.6567 ± 0.0002 Å |
| b | 15.7502 ± 0.0003 Å |
| c | 15.9419 ± 0.0003 Å |
| α | 90° |
| β | 103.165 ± 0.001° |
| γ | 90° |
| Cell volume | 3094.42 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181220 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/99. |
2229939.cif 2229939.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229939.cif 2229939.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229939.cif 2229939.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. | 2229939.cif 2229939.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229939.cif 2229939.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2229939.cif 2229939.hkl |
| 19994 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2229939 via cif-deposit CGI script. |
2229939.cif |
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Users of the data should acknowledge the original authors of the
structural data.