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Information card for entry 4109052
Preview
| Coordinates | 4109052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H25 Cl6 N6 O0.5 Pd2 Ru |
|---|---|
| Calculated formula | C30 H25 Cl6 N6 O0.5 Pd2 Ru |
| SMILES | [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Pd]1(Cl)(Cl)[Cl][Pd]([Cl]1)(Cl)Cl.O |
| Title of publication | Six-fold Oxygen-Coordinated Triplet (S= 1) Palladium(II) Moieties Templated by Tris(bipyridine)ruthenium(II) Ions |
| Authors of publication | Fabrice Pointillart; Cyrille Train; Françoise Villain; Patrick Gredin; Lise-Marie Chamoreau; Michel Gruselle; Gabriel Aullon; Santiago Alvarez; Michel Verdaguer |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 1327 - 1334 |
| a | 16.302 ± 0.003 Å |
| b | 16.465 ± 0.003 Å |
| c | 16.551 ± 0.002 Å |
| α | 101.751 ± 0.011° |
| β | 111.493 ± 0.009° |
| γ | 113.567 ± 0.011° |
| Cell volume | 3454.8 ± 1.2 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1326 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178836 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90. |
4109052.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109052.cif |
| 103932 | 2014-03-08 | cif/4 Fixing Z values and formulae for several entries |
4109052.cif |
| 57803 | 2012-05-21 | cif/ Adding structures of 4109052 via cif-deposit CGI script. |
4109052.cif |
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Users of the data should acknowledge the original authors of the
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