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Information card for entry 2233875
Preview
| Coordinates | 2233875.cif |
|---|---|
| Structure factors | 2233875.hkl |
| Original IUCr paper | HTML |
| Chemical name | (+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2- diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate |
|---|---|
| Formula | C45 H36 Cl O2 P2 Rh |
| Calculated formula | C45 H36 Cl O2 P2 Rh |
| SMILES | [Rh]1234(Cl)[P](c5c([C]64=[C]1(P(=O)(c1ccccc1)c1ccccc1)[CH]2=[CH]3c1ccccc61)c1ccccc1cc5)(c1ccccc1)c1ccccc1.OC |
| Title of publication | (+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2-diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate |
| Authors of publication | Meissner, Antje; Selle, Carmen; Drexler, Hans-Joachim; Heller, Detlef |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m259 |
| a | 9.2108 ± 0.0018 Å |
| b | 9.7453 ± 0.0019 Å |
| c | 11.354 ± 0.002 Å |
| α | 103.01 ± 0.03° |
| β | 104.59 ± 0.03° |
| γ | 105.09 ± 0.03° |
| Cell volume | 905 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0428 |
| Weighted residual factors for all reflections included in the refinement | 0.0432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233875.cif 2233875.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. |
2233875.cif 2233875.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233875.cif 2233875.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. | 2233875.cif 2233875.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233875.cif 2233875.hkl |
| 51127 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233875 via cif-deposit CGI script. |
2233875.cif |
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Users of the data should acknowledge the original authors of the
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