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Information card for entry 2211441
Preview
Coordinates | 2211441.cif |
---|---|
Structure factors | 2211441.hkl |
Original IUCr paper | HTML |
Chemical name | Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl- κ^2^C,N}(triphenylphosphine-κP)palladium(II) dichloromethane solvate |
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Formula | C35 H37 Cl3 Fe N O P Pd |
Calculated formula | C35 H37 Cl3 Fe N O P Pd |
SMILES | C(Cl)Cl.[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]23[Pd](Cl)([N](=C[c]83[cH]7[cH]6[cH]12)[C@@H](CO)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl-κ^2^<i>C</i>,<i>N</i>}(triphenylphosphine-κ<i>P</i>)palladium(II) dichloromethane solvate |
Authors of publication | Qian, Heng-Yu; Cui, Xiu-Ling |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 12 |
Pages of publication | m3435 - m3436 |
a | 10.229 ± 0.003 Å |
b | 32.469 ± 0.0018 Å |
c | 10.686 ± 0.0016 Å |
α | 90° |
β | 90.13 ± 0.013° |
γ | 90° |
Cell volume | 3549.1 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1427 |
Weighted residual factors for all reflections included in the refinement | 0.1462 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2211441.html
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