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Information card for entry 1513867
Preview
Coordinates | 1513867.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H51 Co Cr I N3 P3 |
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Calculated formula | C45 H51 Co Cr I N3 P3 |
SMILES | I[Co]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 |
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 | 20.6768 ± 0.0002 Å |
b | 20.6768 ± 0.0002 Å |
c | 20.6768 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8839.95 ± 0.15 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 205 |
Hermann-Mauguin space group symbol | P a -3 |
Hall space group symbol | -P 2ac 2ab 3 |
Residual factor for all reflections | 0.0397 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for all reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.0639 |
Weighted residual factors for all reflections included in the refinement | 0.0749 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/1513867.html
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