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Information card for entry 7037448
Preview
Coordinates | 7037448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H54 Cl10 N4 P2 Pd3 |
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Calculated formula | C36 H54 Cl10 N4 P2 Pd3 |
SMILES | C1(=Nc2ccc[n](c2[P@]1(CCCC)[Pd]12([CH](C1)=[CH2]2)Cl)[Pd]([n]1cccc2N=C(C(C)(C)C)[P@@](CCCC)(c12)[Pd]12([CH2]=[CH]1C2)Cl)(Cl)Cl)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | 3H-1,3-Azaphospholo[4,5-b]pyridines - novel heterocyclic P,N-bridging or hybrid ligands: synthesis and first d(8)-transition metal complexes. |
Authors of publication | Adam, Mohamed Shaker S.; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2261 - 2272 |
a | 8.5594 ± 0.0007 Å |
b | 9.678 ± 0.0008 Å |
c | 16.4206 ± 0.0013 Å |
α | 101.959 ± 0.004° |
β | 92.199 ± 0.004° |
γ | 109.528 ± 0.004° |
Cell volume | 1245.6 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0572 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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