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Information card for entry 4340664
Preview
| Coordinates | 4340664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H52 O P2 Pd |
|---|---|
| Calculated formula | C42 H52 O P2 Pd |
| SMILES | [Pd]12([P](c3c(Cc4c([P]1(C(C)C)C(C)C)cccc4)cccc3)(C(C)C)C(C)C)[CH](=[CH]2c1ccccc1)C(=O)/C=C/c1ccccc1 |
| Title of publication | Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes. |
| Authors of publication | Comanescu, Cezar C.; Iluc, Vlad M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 8517 - 8528 |
| a | 13.054 ± 0.003 Å |
| b | 15.323 ± 0.003 Å |
| c | 18.24 ± 0.004 Å |
| α | 90° |
| β | 93.755 ± 0.006° |
| γ | 90° |
| Cell volume | 3640.6 ± 1.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0801 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179509 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06. |
4340664.cif |
| 122891 | 2014-09-06 | cif/ Updating files of 4340659, 4340660, 4340661, 4340662, 4340663, 4340664, 4340665, 4340666, 4340667, 4340668, 4340669 Original log message: Adding full bibliography for 4340659--4340669.cif. |
4340664.cif |
| 121997 | 2014-08-18 | cif/ Adding structures of 4340659, 4340660, 4340661, 4340662, 4340663, 4340664, 4340665, 4340666, 4340667, 4340668, 4340669 via cif-deposit CGI script. |
4340664.cif |
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Users of the data should acknowledge the original authors of the
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