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Information card for entry 2019822
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| Coordinates | 2019822.cif |
|---|---|
| Structure factors | 2019822.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium methanol hemisolvate |
|---|---|
| Formula | C9.5 H29 Cl3 O0.5 P3 Rh |
| Calculated formula | C9.5 H29 Cl3 O0.5 P3 Rh |
| SMILES | [Rh](Cl)(Cl)(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.OC |
| Title of publication | Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs |
| Authors of publication | Merola, Joseph S.; Franks, Marion A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 226 |
| a | 16.0993 ± 0.0016 Å |
| b | 15.591 ± 0.0009 Å |
| c | 16.4152 ± 0.0014 Å |
| α | 90° |
| β | 115.084 ± 0.013° |
| γ | 90° |
| Cell volume | 3731.7 ± 0.7 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019822.cif 2019822.hkl |
| 180866 | 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 2/01/98. |
2019822.cif 2019822.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019822.cif 2019822.hkl |
| 130247 | 2015-02-01 | cif/ hkl/ Adding structures of 2019821, 2019822 via cif-deposit CGI script. |
2019822.cif 2019822.hkl |
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