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Information card for entry 4112533
Preview
Coordinates | 4112533.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H56 O2 P4 Pd |
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Calculated formula | C40 H56 O2 P4 Pd |
SMILES | c12ccccc1Oc1c([P](CC)([Pd]3([P]2(CC)CC)[P](c2ccccc2Oc2c([P]3(CC)CC)cccc2)(CC)CC)CC)cccc1 |
Title of publication | Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes |
Authors of publication | James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 5502 - 5514 |
a | 24.902 ± 0.015 Å |
b | 10.638 ± 0.006 Å |
c | 17.118 ± 0.01 Å |
α | 90° |
β | 118.091 ± 0.009° |
γ | 90° |
Cell volume | 4001 ± 4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.0973 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.838 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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