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Information card for entry 4309885
Preview
| Coordinates | 4309885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H34 Cl N2 O2 Rh |
|---|---|
| Calculated formula | C26 H34 Cl N2 O2 Rh |
| SMILES | [Rh]12345(Cl)([O]=C(c6c(nn(c7ccccc7)c6O1)C)CC(C)(C)C)[c]1(C)[c]2([c]3(C)[c]4(C)[c]51C)C |
| Title of publication | Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes |
| Authors of publication | Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7933 - 7942 |
| a | 16.059 ± 0.005 Å |
| b | 19.606 ± 0.007 Å |
| c | 8.081 ± 0.003 Å |
| α | 90° |
| β | 92.177 ± 0.007° |
| γ | 90° |
| Cell volume | 2542.5 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.228 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections | 0.184 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections | 1.328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4309885.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309885.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309885.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309885.cif |
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