Information card for entry 2004002

Structure parameters

• Formula: C14 H22 Cl2 N8 O2 S2
• Calculated formula: C14 H22 Cl2 N8 O2 S2
• Title of publication: Pyridine-2-carbaldehyde Thiosemicarbazone Hydrochloride Monohydrate, 2C~7~H~9~N~4~S^+^.2Cl^{-^}.2H~2~O
• Authors of publication: Urtiaga, M. K.; Arriortua, M. I.; García-Tojal, J.; Rojo, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2172 - 2174
• a: 9.036 ± 0.001 Å
• b: 19.834 ± 0.001 Å
• c: 12.16 ± 0.001 Å
• α: 90°
• β: 100.81 ± 0.01°
• γ: 90°
• Cell volume: 2140.6 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1631
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No