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Information card for entry 2017784
Preview
| Coordinates | 2017784.cif |
|---|---|
| Structure factors | 2017784.hkl |
| Original IUCr paper | HTML |
| Formula | C25 H41 Cl P Rh |
|---|---|
| Calculated formula | C25 H41 Cl P Rh |
| SMILES | [Rh]123(Cl)([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[CH]4=[CH]1C1[CH]2=[CH]3C4C1 |
| Title of publication | Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl] |
| Authors of publication | Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | 503 - 514 |
| a | 10.21309 ± 0.00007 Å |
| b | 15.82275 ± 0.00008 Å |
| c | 14.64123 ± 0.00008 Å |
| α | 90° |
| β | 97.7784 ± 0.0006° |
| γ | 90° |
| Cell volume | 2344.24 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.028 |
| Residual factor for significantly intense reflections | 0.016 |
| Weighted residual factors for all reflections included in the refinement | 0.013 |
| RFsqd | 0.02 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180846 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/77. |
2017784.cif 2017784.hkl |
| 176760 | 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. |
2017784.cif 2017784.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. | 2017784.cif 2017784.hkl |
| 80865 | 2013-04-09 | cif/ (antanas@lokys) Added _atom_site_type_symbol label and values. |
2017784.cif 2017784.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017784.cif 2017784.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017784.cif 2017784.hkl |
| 4092 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017772, 2017773, 2017774, 2017775, 2017776, 2017777, 2017778, 2017779, 2017780, 2017781, 2017782, 2017783, 2017784 via cif-deposit CGI script. |
2017784.cif |
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Users of the data should acknowledge the original authors of the
structural data.