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Information card for entry 2237093
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| Coordinates | 2237093.cif |
|---|---|
| Structure factors | 2237093.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate |
|---|---|
| Formula | C31 H23 Cl5 N2 O6 Pd |
| Calculated formula | C31 H23 Cl5 N2 O6 Pd |
| SMILES | [Pd](Cl)(Cl)(C#[N]c1ccccc1OC(=O)c1ccc(OC)cc1)C#[N]c1ccccc1OC(=O)c1ccc(OC)cc1.ClC(Cl)Cl |
| Title of publication | <i>cis</i>-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate |
| Authors of publication | Tskhovrebov, Alexander; Haukka, Matti |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1476 - m1477 |
| a | 7.4457 ± 0.0001 Å |
| b | 12.1352 ± 0.0004 Å |
| c | 36.1109 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3262.8 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/70. |
2237093.cif 2237093.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237093.cif 2237093.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237093.cif 2237093.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237093.cif 2237093.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2237093.cif 2237093.hkl |
| 71373 | 2013-01-18 | cif/ Adding structures of 2237093 via cif-deposit CGI script. |
2237093.cif |
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Users of the data should acknowledge the original authors of the
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