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Information card for entry 7005657
Preview
Coordinates | 7005657.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H34 Cl2 N4 O8 P2 Pd |
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Calculated formula | C42 H34 Cl2 N4 O8 P2 Pd |
SMILES | [Pd]12([n]3[nH]ccc3c3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1[nH]ccc1c1ccccc1[P]2(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Variable coordination behaviour of pyrazole-containing N,P and N,P(O) ligands towards palladium(II). |
Authors of publication | Kealey, Steven; Long, Nicholas J.; Miller, Philip W.; White, Andrew J. P.; Hitchcock, Peter B.; Gee, Antony |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 26 |
Pages of publication | 2823 - 2832 |
a | 13.8787 ± 0.0011 Å |
b | 18.264 ± 0.002 Å |
c | 31.816 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8064.7 ± 1.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0613 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7005657.html
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