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Crystal data for 2: C4H8N4S 2, Mr, 176.26, monoclinic, space group C2/c, a, 11.3538(8, b, 7.0853(8, c, 10.5678(10) Å, β, 118.514(8)°, V, 747.01(12) Å3, Z, 4, ρcalcd, 1.567 g cm -3, Mo-Kα radiation (λ, 0.71073 Å, μ, 0.639 mm-1, T, 100 K, R, 0.0245 (F2 > 2σ, Rw, 0.0654 (for 7018 data and 50 refined parameters, Crystal data for 3: C4H 6N4S2, Mr, 174.25, monoclinic, space group P21/c, a, 8.5962(12, b, 10.2017(12, c, 8.6899(12) Å, β, 100.435(10)°, V, 749.46(17) Å3, Z, 4, ρcalcd, 1.544 gcm-3, Mo-K
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w = 0.0313 (for 20968 data and 86 refined parameters). Details of data collection and structure refinement are given as Supporting Information
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2O www.ccdc.cam.ac.uk/data_request/cif.
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2O], -680520 (for 3), -680521 (for 2) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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For diamagnetic corrections (Pascal's constants) see, for example: R. L. Carlin, Magnetochemistry, Springer, Heidelberg, 1986.
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For diamagnetic corrections (Pascal's constants) see, for example: R. L. Carlin, Magnetochemistry, Springer, Heidelberg, 1986.
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