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Information card for entry 7041239
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Coordinates | 7041239.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | <i>cis</i>-Dichlorido(5-(diphenylphosphanyl)-1-{[5-diphenylphosphanyl-1H-1,2,4-triazol-1-yl]methyl}-1H-1,2,4-triazole-κ^2^<i>P,P'</i>)palladium(II) |
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Formula | C29 H24 Cl2 N6 P2 Pd |
Calculated formula | C29 H24 Cl2 N6 P2 Pd |
SMILES | [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)c2ncnn2Cn2ncnc2[P]1(c1ccccc1)c1ccccc1 |
Title of publication | Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies. |
Authors of publication | Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 46 |
Journal issue | 1 |
Pages of publication | 227 - 241 |
a | 9.9501 ± 0.0003 Å |
b | 24.6633 ± 0.0009 Å |
c | 11.4922 ± 0.0004 Å |
α | 90° |
β | 98.431 ± 0.0016° |
γ | 90° |
Cell volume | 2789.73 ± 0.16 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0675 |
Weighted residual factors for all reflections included in the refinement | 0.0726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.