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Information card for entry 2105310
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| Coordinates | 2105310.cif |
|---|---|
| Structure factors | 2105310.hkl |
| Original IUCr paper | HTML |
| Chemical name | (acetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) tetrafluoroborate |
|---|---|
| Formula | C13 H19 B F4 O2 Pd |
| Calculated formula | C13 H19 B F4 O2 Pd |
| SMILES | [CH]12=[CH]3CC[CH]4=[CH](CC1)[Pd]1234[O]=C(C=C(C)O1)C.[B](F)(F)(F)[F-] |
| 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 | 26.2908 ± 0.0011 Å |
| b | 7.1684 ± 0.0003 Å |
| c | 7.7782 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1465.9 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0238 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2105310.cif 2105310.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. |
2105310.cif 2105310.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. | 2105310.cif 2105310.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2105310.cif 2105310.hkl |
| 75301 | 2013-03-09 | cif/ Adding structures of 2105309, 2105310, 2105311, 2105312, 2105313 via cif-deposit CGI script. |
2105310.cif |
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Users of the data should acknowledge the original authors of the
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