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Information card for entry 4072211
Preview
Coordinates | 4072211.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H94 B O P Pd S Si2 |
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Calculated formula | C61 H80 B O P Pd S Si2 |
SMILES | [Pd]123([P](c4cc(cc5C(c6cc(cc(B(c7ccccc7)c7ccccc7)c6Sc45)C(C)(C)C)(C)C)C(C)(C)C)(c4ccccc4)c4ccccc4)[CH2]=[CH]1[Si](O[Si]([CH]3=[CH2]2)(C)C)(C)C.CCCCCC |
Title of publication | Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination |
Authors of publication | Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 20 |
Pages of publication | 5317 |
a | 17.16 ± 0.007 Å |
b | 9.849 ± 0.004 Å |
c | 36.227 ± 0.016 Å |
α | 90° |
β | 96.351 ± 0.007° |
γ | 90° |
Cell volume | 6085 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.166 |
Residual factor for significantly intense reflections | 0.1053 |
Weighted residual factors for significantly intense reflections | 0.2411 |
Weighted residual factors for all reflections included in the refinement | 0.2723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4072211.html
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