Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237243
Preview
| Coordinates | 2237243.cif |
|---|---|
| Structure factors | 2237243.hkl |
| Original IUCr paper | HTML |
| Chemical name | Carbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]biphenyl- κ^2^<i>P</i>,<i>P</i>'}hydrido(triphenylphosphane-κ<i>P</i>)rhodium(I) diethyl ether trisolvate |
|---|---|
| Formula | C105 H114 O12 P3 Rh |
| Calculated formula | C95 H89 O9.5 P3 Rh |
| Title of publication | Carbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]biphenyl-κ^2^<i>P</i>,<i>P</i>'}hydrido(triphenylphosphane-κ<i>P</i>)rhodium(I) diethyl ether trisolvate |
| Authors of publication | Selent, Detlef; Spannenberg, Anke; Börner, Armin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m14 |
| a | 21.1611 ± 0.0004 Å |
| b | 22.1298 ± 0.0004 Å |
| c | 22.602 ± 0.0004 Å |
| α | 112.345 ± 0.001° |
| β | 101.135 ± 0.001° |
| γ | 96.757 ± 0.001° |
| Cell volume | 9389.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (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 2/23/72. |
2237243.cif 2237243.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. |
2237243.cif 2237243.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237243.cif 2237243.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. | 2237243.cif 2237243.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237243.cif 2237243.hkl |
| 73472 | 2013-02-20 | cif/ Adding structures of 2237243 via cif-deposit CGI script. |
2237243.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.