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Information card for entry 7006236
Preview
Coordinates | 7006236.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H66 F6 N2 O6 P4 Pd2 S2 |
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Calculated formula | C70 H66 F6 N2 O6 P4 Pd2 S2 |
SMILES | C12CC[P](c3ccccc3)([Pd]2([n]2ccc(c3cc[n](cc3)[Pd]34C(CC[P]3(c3ccccc3)c3ccccc3)CC[P]4(c3ccccc3)c3ccccc3)cc2)[P](CC1)(c1ccccc1)c1ccccc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
Title of publication | Dinuclear PCP pincer complexes from Lewis acidic [Pd(OTf)(PCP)] and basic [Pd(4-Spy)(PCP)] (OTf = triflate; 4-Spy = 4-pyridinethiolate; PCP = (-)CH(CH(2)CH(2)PPh(2))(2)). |
Authors of publication | Neo, Kian Eang; Huynh, Han Vinh; Koh, Lip Lin; Henderson, William; Hor, T. S. Andy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 48 |
Pages of publication | 5701 - 5709 |
a | 10.004 ± 0.0014 Å |
b | 17.732 ± 0.002 Å |
c | 18.719 ± 0.003 Å |
α | 90° |
β | 101.49 ± 0.004° |
γ | 90° |
Cell volume | 3254 ± 0.8 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1025 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1382 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7006236.html
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