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Information card for entry 4080949
Preview
Coordinates | 4080949.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H56 N2 Pd |
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Calculated formula | C43 H56 N2 Pd |
SMILES | [Pd]12(C3C=CC=C3)([C](=[CH2]1)(C2)C)=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.c1(ccccc1)C |
Title of publication | Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands |
Authors of publication | Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4025 |
a | 10.1993 ± 0.0002 Å |
b | 12.3405 ± 0.0003 Å |
c | 15.3944 ± 0.0011 Å |
α | 106.757 ± 0.007° |
β | 96.156 ± 0.007° |
γ | 91.899 ± 0.007° |
Cell volume | 1840.45 ± 0.16 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0602 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation wavelength | 1.54187 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/4080949.html
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