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Information card for entry 7216176
Preview
| Coordinates | 7216176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 N2 Na2 O7 Pd |
|---|---|
| Calculated formula | C20 H18 N2 Na2 O7 Pd |
| SMILES | C1(=O)C(N(c2c(cccc2C)C)[Pd]2(O1)OC(=O)C(N2c1c(cccc1C)C)=O)=O.[Na+].O.[Na+] |
| Title of publication | Solid-state cis–trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity |
| Authors of publication | Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 30 |
| Pages of publication | 6971 |
| a | 16.4083 ± 0.0006 Å |
| b | 22.4457 ± 0.0012 Å |
| c | 13.474 ± 0.0004 Å |
| α | 90° |
| β | 124.48 ± 0.001° |
| γ | 90° |
| Cell volume | 4090.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287753 (current) | 2023-11-23 | Fixing Z values and formulae |
7216176.cif |
| 180492 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61. |
7216176.cif |
| 121580 | 2014-08-08 | cif/ Updating files of 7216172, 7216173, 7216174, 7216175, 7216176 Original log message: Adding full bibliography for 7216172--7216176.cif. |
7216176.cif |
| 114585 | 2014-05-28 | cif/ Adding structures of 7216172, 7216173, 7216174, 7216175, 7216176 via cif-deposit CGI script. |
7216176.cif |
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