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Information card for entry 7004890
Preview
Coordinates | 7004890.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H82 Cu4 N26 O6 S6 |
---|---|
Calculated formula | C44 H82 Cu4 N26 O6 S6 |
SMILES | CNC1=N[N]2=C(C(=[N]3[N-]C4=N[N]5=C(C(C)=[N]6[Cu]785[S]4[Cu]423[S]1[Cu]123[S]5C(=N[N]2=C(C(C)=[N]3N=C([S]41)NC)C)[N-][N]1=C(C(=[N]2N=C(NC)[S]8[Cu]512[S]7C(=N6)NC)C)C)C)C)C.O=CN(C)C.O=CN(C)C.CN(C)C=O.O=CN(C)C.O=CN(C)C.O=CN(C)C |
Title of publication | New bimetallic compounds based on the bis(thiosemicarbazonato) motif. |
Authors of publication | Christlieb, Martin; Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Paterson, Brett M.; Struthers, Harriet S. R.; White, Jonathan M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 3 |
Pages of publication | 327 - 331 |
a | 14.2293 ± 0.001 Å |
b | 16.2421 ± 0.0012 Å |
c | 14.954 ± 0.0011 Å |
α | 90° |
β | 110.67 ± 0.001° |
γ | 90° |
Cell volume | 3233.6 ± 0.4 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
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/7004890.html
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Users of the data should acknowledge the original authors of the
structural data.