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Information card for entry 7005660
Preview
Coordinates | 7005660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H38 Cl14 N4 O2 P2 Pd |
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Calculated formula | C46 H38 Cl14 N4 O2 P2 Pd |
SMILES | c1(ccccc1)P(=O)(c1c(cccc1)c1[nH][n]([Pd](Cl)([n]2[nH]c(c3c(P(=O)(c4ccccc4)c4ccccc4)cccc3)cc2)Cl)cc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
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 | 10.1514 ± 0.0003 Å |
b | 11.8973 ± 0.0003 Å |
c | 12.9736 ± 0.0003 Å |
α | 74.004 ± 0.001° |
β | 67.062 ± 0.001° |
γ | 77.013 ± 0.002° |
Cell volume | 1374.87 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0471 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1105 |
Weighted residual factors for all reflections included in the refinement | 0.1151 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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