Information card for entry 2007746

Structure parameters

• Common name: Tiosemicarbazide dihydrogen phosphate
• Chemical name: Thiosemicarbazonium dihydrogen phosphate
• Formula: C H8 N3 O4 P S
• Calculated formula: C H8 N3 O4 P S
• SMILES: C(=S)(N)N[NH3+].P(=O)([O-])(O)O
• Title of publication: Thiosemicarbazid-1-ium Dihydrogenphosphate
• Authors of publication: Waśkowska, Alicja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1540 - 1542
• a: 19.799 ± 0.004 Å
• b: 8.914 ± 0.002 Å
• c: 8.411 ± 0.002 Å
• α: 90°
• β: 107.75 ± 0.01°
• γ: 90°
• Cell volume: 1413.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No