NaC7H4NO2S2.H2O Penavic M, Jovanovski G, Grupce O Acta Crystallographica C46 (1990) 2341-2344 Structure of sodium thiosaccharinate monohydrate _database_code_amcsd 0010237 CELL PARAMETERS: 7.4990 26.8950 4.7050 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 948.931 Density (g/cm3): 1.674 MAX. ABS. INTENSITY / VOLUME**2: 10.63451388 RIR: 2.068 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.57 100.00 13.4475 0 2 0 2 13.17 6.24 6.7238 0 4 0 2 13.52 40.31 6.5495 1 2 0 4 17.72 1.60 5.0061 1 4 0 4 19.15 5.88 4.6346 0 1 1 4 20.32 8.65 4.3708 1 5 0 4 21.33 2.02 4.1661 0 3 1 4 22.31 9.33 3.9855 1 0 1 4 22.55 10.25 3.9424 1 1 1 4 23.07 2.50 3.8549 0 4 1 4 23.12 7.77 3.8475 1 6 0 4 23.28 8.62 3.8212 1 2 1 4 23.96 7.64 3.7136 2 1 0 4 24.44 34.25 3.6418 1 3 1 4 25.15 16.10 3.5414 0 5 1 4 25.75 1.11 3.4591 2 3 0 4 25.99 12.97 3.4285 1 4 1 4 26.06 1.56 3.4195 1 7 0 4 27.48 7.60 3.2454 0 6 1 4 27.86 3.20 3.2023 1 5 1 4 29.03 1.72 3.0759 2 5 0 4 29.11 1.75 3.0677 1 8 0 4 30.00 7.21 2.9785 1 6 1 4 30.03 3.63 2.9759 0 7 1 4 30.67 4.18 2.9150 2 1 1 4 31.10 1.43 2.8760 2 6 0 4 31.22 10.64 2.8650 2 2 1 4 32.12 1.20 2.7870 2 3 1 4 32.25 1.39 2.7760 1 9 0 4 32.37 8.16 2.7661 1 7 1 4 33.31 1.43 2.6895 0 10 0 2 33.34 3.31 2.6878 2 4 1 4 34.85 5.76 2.5746 2 5 1 4 34.92 3.79 2.5697 1 8 1 4 35.59 3.15 2.5225 0 9 1 4 36.62 2.53 2.4539 2 6 1 4 37.62 1.07 2.3909 1 9 1 4 38.52 1.76 2.3369 2 9 0 4 39.76 1.05 2.2669 3 5 0 4 40.32 1.01 2.2369 1 1 2 4 40.63 1.00 2.2205 0 4 2 4 40.75 2.48 2.2140 1 2 2 4 41.02 1.80 2.2001 3 1 1 4 43.13 2.28 2.0973 3 4 1 4 43.42 2.09 2.0841 1 11 1 4 44.22 3.05 2.0480 2 11 0 4 47.32 2.50 1.9211 0 14 0 2 47.59 1.71 1.9106 2 4 2 4 48.69 1.72 1.8702 4 1 0 4 49.68 1.62 1.8351 4 3 0 4 50.09 1.12 1.8209 2 6 2 4 51.67 5.52 1.7690 2 7 2 4 54.54 1.48 1.6827 3 3 2 4 56.70 1.23 1.6234 4 6 1 4 56.73 1.07 1.6227 0 12 2 4 58.17 1.04 1.5860 1 12 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.