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Information card for entry 4086372
Preview
Coordinates | 4086372.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H49 I P2 Pd S Si |
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Calculated formula | C56 H49 I P2 Pd S Si |
SMILES | I[Pd]1([S]=P(C1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1 |
Title of publication | Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity |
Authors of publication | Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 2 |
Pages of publication | 159 |
a | 14.5364 ± 0.0006 Å |
b | 22.5509 ± 0.0009 Å |
c | 14.6238 ± 0.0006 Å |
α | 90° |
β | 94.143 ± 0.001° |
γ | 90° |
Cell volume | 4781.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.038 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.049 |
Weighted residual factors for all reflections included in the refinement | 0.0531 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
175807 (current) | 2016-02-04 | cif/ Updating files of 4086366, 4086367, 4086368, 4086369, 4086370, 4086371, 4086372, 4086373, 4086374, 4086375, 4086376, 4086377, 4086378 Original log message: Adding full bibliography for 4086366--4086378.cif. |
4086372.cif |
171827 | 2016-01-01 | cif/ Adding structures of 4086366, 4086367, 4086368, 4086369, 4086370, 4086371, 4086372, 4086373, 4086374, 4086375, 4086376, 4086377, 4086378 via cif-deposit CGI script. |
4086372.cif |
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Users of the data should acknowledge the original authors of the
structural data.