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Information card for entry 2105763
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Coordinates | 2105763.cif |
---|---|
Original IUCr paper | HTML |
Formula | C30 H28 N6 Ni O8 S2 |
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Calculated formula | C30 H28 N6 Ni O8 S2 |
Title of publication | Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes |
Authors of publication | Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 1 |
Pages of publication | 115 - 125 |
a | 11.8991 ± 0.0003 Å |
b | 51.4066 ± 0.0012 Å |
c | 14.1366 ± 0.0003 Å |
α | 90° |
β | 99.498 ± 0.001° |
γ | 90° |
Cell volume | 8528.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0691 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1203 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2105763.html
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structural data.