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Information card for entry 4086257
Preview
Coordinates | 4086257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H57 Cl2 N4 O4 P Pd |
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Calculated formula | C32 H57 Cl2 N4 O4 P Pd |
SMILES | c1(ccccc1)[P@]1(=O)OC[C@H](C(C)(C)C)NC(N2CCCC2)=[Pd](=C(N[C@@H](C(C)(C)C)CO1)N1CCCC1)(Cl)Cl.CCOCC |
Title of publication | Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity |
Authors of publication | Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 4515 |
a | 13.9031 ± 0.0003 Å |
b | 16.1632 ± 0.0004 Å |
c | 16.5945 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3729.09 ± 0.15 Å3 |
Cell temperature | 123 ± 0.1 K |
Ambient diffraction temperature | 123 ± 0.1 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 | 0.0529 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Weighted residual factors for all reflections included in the refinement | 0.1342 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4086257.html
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