Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7025057
Preview
Coordinates | 7025057.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H36 Co N2 O10 P |
---|---|
Calculated formula | C34 H36 Co N2 O10 P |
SMILES | C1(=O)C[C@H]2C(=O)O[Co]345(O1)[NH]2CC[NH]3[C@@H](CC(=O)O4)C(=O)O5.c1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.O.O |
Title of publication | Organic-soluble optically pure anionic metal complexes PPh4[M(III)(S,S-EDDS)].2H2O (M = Fe, Co, Cr). |
Authors of publication | Chmel, Nikola Paul; Howson, Suzanne E.; Allan, Laura E. N.; Barker, James; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 11 |
Pages of publication | 2919 - 2927 |
a | 16.9107 ± 0.0006 Å |
b | 12.8825 ± 0.0004 Å |
c | 7.3322 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1597.34 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0735 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7025057.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.