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Information card for entry 2105310
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2105310.cif |
---|---|
Structure factors | 2105310.hkl |
Original IUCr paper | HTML |
Chemical name | (acetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) tetrafluoroborate |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2105310.html
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