Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7053591
Preview
Coordinates | 7053591.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H35 Co N6 O11.5 P3 |
---|---|
Calculated formula | C9 H35 Co N6 O11.5 P3 |
SMILES | [Co]123([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)[NH2]CCC[NH2]3.P1(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-].O.O.O |
Title of publication | Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds |
Authors of publication | Sunatsuki, Yukinari; Miyahara, Sho; Suzuki, Takayoshi; Kojima, Masaaki; Nakashima, Toshio; Matsumoto, Naohide; Galsbøl, Frode |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 12 |
Pages of publication | 2777 |
a | 10.4652 ± 0.0003 Å |
b | 14.9511 ± 0.0004 Å |
c | 28.3327 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4433.1 ± 0.2 Å3 |
Cell temperature | 93.1 K |
Ambient diffraction temperature | 93.1 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for all reflections included in the refinement | 0.0417 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/7053591.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.