Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1513868
Preview
Coordinates | 1513868.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H60 Cr Fe N3 P4 |
---|---|
Calculated formula | C48 H60 Cr Fe N3 P4 |
SMILES | [Fe]123([Cr](N(C(C)C)[P]1(c1ccccc1)c1ccccc1)(N(C(C)C)[P]2(c1ccccc1)c1ccccc1)N(C(C)C)[P]3(c1ccccc1)c1ccccc1)[P](C)(C)C |
Title of publication | A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes |
Authors of publication | Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 4 |
Pages of publication | 1617 |
a | 16.2739 ± 0.0003 Å |
b | 16.2739 ± 0.0003 Å |
c | 23.1328 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5305.69 ± 0.18 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 6 |
Space group number | 165 |
Hermann-Mauguin space group symbol | P -3 c 1 |
Hall space group symbol | -P 3 2"c |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for all reflections | 0.0985 |
Weighted residual factors for significantly intense reflections | 0.0852 |
Weighted residual factors for all reflections included in the refinement | 0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9917 |
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/1513868.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.