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Information card for entry 2231996
Preview
| Coordinates | 2231996.cif |
|---|---|
| Structure factors | 2231996.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane- κ<i>P</i>]rhodium(I) acetone trisolvate |
|---|---|
| Formula | C70 H60 Cl O4 P2 Rh |
| Calculated formula | C70 H60 Cl O4 P2 Rh |
| SMILES | C(#[O])[Rh]([P](c1c2ccccc2ccc1)(c1c2ccccc2ccc1)c1c2ccccc2ccc1)([P](c1cccc2c1cccc2)(c1c2ccccc2ccc1)c1c2ccccc2ccc1)Cl.CC(=O)C.CC(=O)C.CC(=O)C |
| Title of publication | <i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone trisolvate |
| Authors of publication | Meijboom, Reinout |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1438 |
| a | 10.1306 ± 0.0015 Å |
| b | 27.673 ± 0.004 Å |
| c | 20.201 ± 0.003 Å |
| α | 90° |
| β | 94.61 ± 0.004° |
| γ | 90° |
| Cell volume | 5644.9 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0616 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181241 (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 2/23/19. |
2231996.cif 2231996.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. |
2231996.cif 2231996.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231996.cif 2231996.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. | 2231996.cif 2231996.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231996.cif 2231996.hkl |
| 29284 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231996 via cif-deposit CGI script. |
2231996.cif |
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