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Information card for entry 7006239
Preview
Coordinates | 7006239.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H62 F6 N P5 Pd2 S |
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Calculated formula | C63 H62 F6 N P5 Pd2 S |
SMILES | [Pd]12(Sc3cc[n]([Pd]45[P](CCC5CC[P]4(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)cc3)[P](CCC2CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
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 | 12.9468 ± 0.0005 Å |
b | 17.4888 ± 0.0007 Å |
c | 26.5948 ± 0.0011 Å |
α | 90° |
β | 91.388 ± 0.001° |
γ | 90° |
Cell volume | 6019.9 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0573 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7006239.html
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