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Information card for entry 7032131
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Coordinates | 7032131.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H20 Br2 N4 Zn |
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Calculated formula | C26 H20 Br2 N4 Zn |
SMILES | Br[Zn](Br)([N]#CN(c1ccccc1)c1ccccc1)[N]#CN(c1ccccc1)c1ccccc1 |
Title of publication | Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands. |
Authors of publication | Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 42 |
Pages of publication | 15798 - 15811 |
a | 9.6653 ± 0.0009 Å |
b | 18.1538 ± 0.0016 Å |
c | 14.5506 ± 0.0013 Å |
α | 90° |
β | 92.564 ± 0.008° |
γ | 90° |
Cell volume | 2550.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0528 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0551 |
Weighted residual factors for all reflections included in the refinement | 0.0605 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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