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Information card for entry 4070851
Preview
| Coordinates | 4070851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 N6 O14 Pd |
|---|---|
| Calculated formula | C36 H36 N6 O14 Pd |
| SMILES | [Pd](C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)(c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O |
| Title of publication | Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg |
| Authors of publication | Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 7 |
| Pages of publication | 1582 |
| a | 21.156 ± 0.0009 Å |
| b | 11.2128 ± 0.0005 Å |
| c | 16.2406 ± 0.0007 Å |
| α | 90° |
| β | 92.797 ± 0.002° |
| γ | 90° |
| Cell volume | 3848 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08. |
4070851.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070851.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070851.cif |
| 42765 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070851 via cif-deposit CGI script. |
4070851.cif |
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Users of the data should acknowledge the original authors of the
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