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Information card for entry 1513869
Preview
Coordinates | 1513869.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H60 Co Cr N3 P4 |
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Calculated formula | C48 H60 Co Cr N3 P4 |
SMILES | [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)[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 | 16.2999 ± 0.0006 Å |
b | 16.2999 ± 0.0006 Å |
c | 22.8438 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5256.2 ± 0.3 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 | 0.0431 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for all reflections | 0.0968 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0968 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0465 |
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/1513869.html
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