Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7020248
Preview
Coordinates | 7020248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H25 N3 O3 Pd S |
---|---|
Calculated formula | C11 H25 N3 O3 Pd S |
SMILES | [Pd]12(SC([C@@H]([NH2]1)C(=O)[O-])(C)C)[NH2][C@H]1CCCC[C@@H]1[NH2]2.O |
Title of publication | Conversion of D-penicillaminato trinuclear to mononuclear palladium(II) structure by diamine ligands: remarkable enantioselectivity toward racemic 1,2-cyclohexanediamine. |
Authors of publication | Yoshinari, Nobuto; Nagao, Yoshinori; Yokoi, Anzu; Igashira-Kamiyama, Asako; Konno, Takumi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 37 |
Pages of publication | 11259 - 11262 |
a | 13.1888 ± 0.0011 Å |
b | 19.5017 ± 0.0018 Å |
c | 5.625 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1446.8 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0389 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71075 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/7020248.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.