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Information card for entry 7016388
Preview
Coordinates | 7016388.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C145 H132 Cl2 O8 P2 Pd2 Si4 |
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Calculated formula | C145 H132 Cl2 O8 P2 Pd2 Si4 |
SMILES | [Pd]12([P]3(Oc4c2c(O)c(cc4C(C)(C)C)C(C)(C)C)Oc2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc4ccccc4c2c2c4ccccc4cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c2O3)[Cl][Pd]2([P]3(Oc4c2c(O)c(cc4C(C)(C)C)C(C)(C)C)Oc2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc4ccccc4c2c2c4ccccc4cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c2O3)[Cl]1.CCCCC |
Title of publication | Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis. |
Authors of publication | Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 9042 - 9050 |
a | 14.4938 ± 0.0006 Å |
b | 30.6692 ± 0.0013 Å |
c | 14.4991 ± 0.0005 Å |
α | 90° |
β | 106.461 ± 0.003° |
γ | 90° |
Cell volume | 6180.9 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1541 |
Residual factor for significantly intense reflections | 0.0919 |
Weighted residual factors for significantly intense reflections | 0.1736 |
Weighted residual factors for all reflections included in the refinement | 0.2009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7016388.html
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