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Information card for entry 7039654
Preview
Coordinates | 7039654.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H48 Cl6 N4 O2 Se2 Zn2 |
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Calculated formula | C30 H48 Cl6 N4 O2 Se2 Zn2 |
SMILES | c1(n(c2ccccc2[n+]1CCCC)CCCC)[Se][Se]c1n(c2ccccc2[n+]1CCCC)CCCC.[Zn](Cl)(Cl)([OH2])Cl.[Zn](Cl)(Cl)(Cl)[OH2] |
Title of publication | Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis. |
Authors of publication | Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 12015 - 12027 |
a | 25.1574 ± 0.0013 Å |
b | 8.3563 ± 0.0002 Å |
c | 22.6077 ± 0.0012 Å |
α | 90° |
β | 123.385 ± 0.007° |
γ | 90° |
Cell volume | 3968.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0317 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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