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Information card for entry 4309893
Preview
| Coordinates | 4309893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H54 Cl2 N4 O4 P2 Pd S2 |
|---|---|
| Calculated formula | C54 H54 Cl2 N4 O4 P2 Pd S2 |
| SMILES | [Pd]([P](c1ccccc1)(c1ccccc1)c1cc(ccc1)NC(=O)Nc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1cc(ccc1)NC(=O)Nc1ccccc1)(Cl)Cl.CS(C)=O.CS(C)=O |
| Title of publication | Palladium and Rhodium Ureaphosphine Complexes: Exploring Structural and Catalytic Consequences of Anion Binding |
| Authors of publication | Paul A. Duckmanton; Alexander J. Blake; Jason B. Love |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7708 - 7710 |
| a | 9.8218 ± 0.0003 Å |
| b | 32.0317 ± 0.0008 Å |
| c | 17.1394 ± 0.0006 Å |
| α | 90° |
| β | 105.964 ± 0.0011° |
| γ | 90° |
| Cell volume | 5184.3 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.125 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179136 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98. |
4309893.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309893.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309893.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). |
4309893.cif |
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Users of the data should acknowledge the original authors of the
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