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Information card for entry 4075455
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Coordinates | 4075455.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Pd(PCP-bipol)(CF3COO)].2(Et2O) |
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Formula | C40 H41 F3 N2 O8 P2 Pd |
Calculated formula | C40 H41 F3 N2 O8 P2 Pd |
SMILES | [Pd]12([P]3(Oc4c(cccc4)c4c(O3)cccc4)Nc3c2c(N[P]21Oc1c(cccc1)c1c(O2)cccc1)ccc3)OC(=O)C(F)(F)F.CCOCC.CCOCC |
Title of publication | A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes |
Authors of publication | Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 3817 |
a | 13.6286 ± 0.0012 Å |
b | 15.5379 ± 0.0014 Å |
c | 18.6978 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3959.4 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/4075455.html
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