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Information card for entry 2230376
Preview
| Coordinates | 2230376.cif |
|---|---|
| Structure factors | 2230376.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato}palladium(II) |
|---|---|
| Formula | C30 H26 F2 N2 O4 Pd |
| Calculated formula | C30 H26 F2 N2 O4 Pd |
| SMILES | [Pd]12([N](=Cc3c(O1)c(OC)ccc3)Cc1ccc(F)cc1)Oc1c(OC)cccc1C=[N]2Cc1ccc(F)cc1 |
| Title of publication | Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato}palladium(II) |
| Authors of publication | Bahron, Hadariah; Mohd Tajuddin, Amalina; Ibrahim, Wan Nazihah Wan; Hemamalini, Madhukar; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m759 - m760 |
| a | 10.0025 ± 0.0004 Å |
| b | 11.0082 ± 0.0004 Å |
| c | 12.3152 ± 0.0004 Å |
| α | 109.55 ± 0.001° |
| β | 98.368 ± 0.001° |
| γ | 90.054 ± 0.001° |
| Cell volume | 1262.45 ± 0.08 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181225 (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 2/23/03. |
2230376.cif 2230376.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. |
2230376.cif 2230376.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230376.cif 2230376.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. | 2230376.cif 2230376.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230376.cif 2230376.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230376.cif 2230376.hkl |
| 22356 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230376 via cif-deposit CGI script. |
2230376.cif |
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Users of the data should acknowledge the original authors of the
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