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Information card for entry 7016387
Preview
Coordinates | 7016387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H104 Cl2 O6 P2 Pd2 Si4 |
---|---|
Calculated formula | C100 H104 Cl2 O6 P2 Pd2 Si4 |
SMILES | c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[P]1([Pd]32[Cl][Pd]2(c4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[P]42Oc2c(cc5ccccc5c2c2c5ccccc5cc(c2O4)[Si](c2ccccc2)(C)C)[Si](c2ccccc2)(C)C)[Cl]3)Oc2c(cc3ccccc3c2c2c3ccccc3cc([Si](c3ccccc3)(C)C)c2O1)[Si](c1ccccc1)(C)C |
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 | 29.464 ± 0.003 Å |
b | 9.6174 ± 0.0009 Å |
c | 22.049 ± 0.002 Å |
α | 90° |
β | 132.779 ± 0.003° |
γ | 90° |
Cell volume | 4585.9 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0316 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0654 |
Weighted residual factors for all reflections included in the refinement | 0.0665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7016387.html
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