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Information card for entry 7054835
Preview
Coordinates | 7054835.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H38 N4 Ni O6 S4 |
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Calculated formula | C34 H38 N4 Ni O6 S4 |
SMILES | S1C(N(Cc2cc(c(c(c2)OC)OC)OC)Cc2cccnc2)=[S][Ni]21[S]=C(N(Cc1cc(c(c(c1)OC)OC)OC)Cc1cccnc1)S2 |
Title of publication | Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes |
Authors of publication | Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 7 |
Pages of publication | 5493 |
a | 7.0268 ± 0.001 Å |
b | 10.6267 ± 0.0018 Å |
c | 13.7577 ± 0.0016 Å |
α | 104.768 ± 0.012° |
β | 103.014 ± 0.011° |
γ | 105.644 ± 0.014° |
Cell volume | 907.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1042 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1286 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/7054835.html
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Users of the data should acknowledge the original authors of the
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