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Information card for entry 2240487
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| Coordinates | 2240487.cif |
|---|---|
| Structure factors | 2240487.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-{1-[(<i>E</i>)-(4-fluorobenzyl)imino]ethyl}phenolato-κ^2^<i>N</i>,<i>O</i>)palladium(II) |
|---|---|
| Formula | C30 H26 F2 N2 O2 Pd |
| Calculated formula | C30 H26 F2 N2 O2 Pd |
| SMILES | [Pd]12(Oc3c(C(=[N]1Cc1ccc(cc1)F)C)cccc3)[N](=C(c1c(O2)cccc1)C)Cc1ccc(cc1)F |
| Title of publication | Crystal structure of bis(2-{1-[(<i>E</i>)-(4-fluorobenzyl)imino]ethyl}phenolato-κ^2^<i>N</i>,<i>O</i>)palladium(II) |
| Authors of publication | Mohd Tajuddin, Amalina; Bahron, Hadariah; Mohd Zaki, Hamizah; Kassim, Karimah; Chantrapromma, Suchada |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 350 - 353 |
| a | 7.5924 ± 0.0005 Å |
| b | 21.9212 ± 0.0014 Å |
| c | 9.3475 ± 0.0005 Å |
| α | 90° |
| β | 124.963 ± 0.004° |
| γ | 90° |
| Cell volume | 1274.97 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0346 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240487.cif 2240487.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240487.cif 2240487.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240487.cif 2240487.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2240487.cif 2240487.hkl |
| 134008 | 2015-03-18 | cif/ hkl/ Adding structures of 2240487 via cif-deposit CGI script. |
2240487.cif 2240487.hkl |
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Users of the data should acknowledge the original authors of the
structural data.