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Information card for entry 2234301
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| Coordinates | 2234301.cif |
|---|---|
| Structure factors | 2234301.hkl |
| Original IUCr paper | HTML |
| Chemical name | {5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}palladium(II) |
|---|---|
| Formula | C21 H24 N2 O4 Pd |
| Calculated formula | C21 H24 N2 O4 Pd |
| SMILES | c12cc(ccc2C=[N]2[Pd]3(O1)[N](=Cc1c(cc(cc1)OC)O3)CC(C2)(C)C)OC |
| Title of publication | {5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}palladium(II) |
| Authors of publication | Che Soh, Siti Kamilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m514 - m515 |
| a | 11.547 ± 0.0004 Å |
| b | 20.9656 ± 0.0007 Å |
| c | 7.873 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1905.97 ± 0.12 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0173 |
| Residual factor for significantly intense reflections | 0.0163 |
| Weighted residual factors for significantly intense reflections | 0.0425 |
| Weighted residual factors for all reflections included in the refinement | 0.0431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234301.cif 2234301.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. |
2234301.cif 2234301.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234301.cif 2234301.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. | 2234301.cif 2234301.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234301.cif 2234301.hkl |
| 55569 | 2012-05-05 | cif/ Adding structures of 2234301 via cif-deposit CGI script. |
2234301.cif |
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Users of the data should acknowledge the original authors of the
structural data.