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Information card for entry 2105313
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| Coordinates | 2105313.cif |
|---|---|
| Structure factors | 2105313.hkl |
| Original IUCr paper | HTML |
| Chemical name | (hexafluoroacetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) hexafluorophosphate |
|---|---|
| Formula | C13 H13 F12 O2 P Pd |
| Calculated formula | C13 H13 F12 O2 P Pd |
| Title of publication | Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters |
| Authors of publication | Hill, Tania N.; Roodt, Andreas; Steyl, Gideon |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | 36 - 42 |
| a | 8.5885 ± 0.0002 Å |
| b | 10.6304 ± 0.0002 Å |
| c | 19.4093 ± 0.0004 Å |
| α | 90° |
| β | 93.415 ± 0.001° |
| γ | 90° |
| Cell volume | 1768.91 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0288 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180912 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/53. |
2105313.cif 2105313.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105313.cif 2105313.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. | 2105313.cif 2105313.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2105313.cif 2105313.hkl |
| 75301 | 2013-03-09 | cif/ Adding structures of 2105309, 2105310, 2105311, 2105312, 2105313 via cif-deposit CGI script. |
2105313.cif |
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