TcC10H20D2N2S2OCl.D2O Faggiani R, Lock C J L, Epps L A, Kramer A V, Brune H D Acta Crystallographica C46 (1990) 2324-2327 {2,2'-dimethyl-1,1'-[(N,N'-2H2)-ethylenediamino]dipropane- 2-thiolato-N,N',S,S'}-oxotechnetium(V) chloride monodeuterate _database_code_amcsd 0010230 CELL PARAMETERS: 6.1600 26.7270 10.3190 90.000 96.890 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1686.634 Density (g/cm3): 1.487 MAX. ABS. INTENSITY / VOLUME**2: 16.02053431 RIR: 3.508 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.61 1.55 13.3635 0 2 0 2 9.25 1.46 9.5658 0 1 1 4 10.88 100.00 8.1303 0 2 1 4 13.17 1.64 6.7225 0 3 1 4 13.25 21.36 6.6817 0 4 0 2 14.48 17.15 6.1155 1 0 0 2 14.86 49.41 5.9614 1 1 0 4 15.84 3.03 5.5966 0 4 1 4 15.94 8.79 5.5609 1 2 0 4 16.31 13.60 5.4363 -1 1 1 4 17.29 20.98 5.1274 -1 2 1 4 17.31 2.60 5.1222 0 0 2 2 18.07 6.46 4.9090 1 1 1 4 18.83 16.51 4.7121 -1 3 1 4 19.68 5.93 4.5112 1 4 0 4 19.93 3.38 4.4545 0 6 0 2 20.39 8.00 4.3563 1 3 1 4 21.51 5.04 4.1312 -1 1 2 4 21.76 4.60 4.0850 0 6 1 4 21.86 2.49 4.0652 0 4 2 4 22.09 6.22 4.0247 1 5 0 4 22.22 1.38 4.0002 1 4 1 4 23.96 1.78 3.7136 1 0 2 2 24.06 1.27 3.6983 0 5 2 4 24.20 2.53 3.6783 1 1 2 4 24.73 1.20 3.6006 1 6 0 4 24.88 1.75 3.5780 1 2 2 4 25.64 1.85 3.4745 -1 6 1 4 25.99 3.68 3.4277 1 3 2 4 26.52 2.08 3.3613 0 6 2 4 26.82 1.55 3.3242 1 6 1 4 26.95 4.08 3.3085 0 2 3 4 27.07 9.40 3.2935 -1 5 2 4 27.48 2.67 3.2460 1 4 2 4 27.98 3.04 3.1886 0 3 3 4 28.09 1.31 3.1762 0 8 1 4 28.37 4.40 3.1461 -1 7 1 4 28.56 1.17 3.1249 -1 1 3 4 29.17 2.48 3.0613 0 7 2 4 29.40 3.23 3.0379 2 1 0 4 29.45 5.25 3.0332 1 7 1 4 29.98 1.40 2.9807 2 2 0 4 30.12 2.30 2.9669 -1 3 3 4 31.17 3.91 2.8698 -2 3 1 4 31.68 1.59 2.8241 1 1 3 4 31.98 1.61 2.7983 0 8 2 4 32.19 2.06 2.7804 2 4 0 4 32.22 3.01 2.7780 1 2 3 4 32.24 1.36 2.7763 2 2 1 4 32.42 2.39 2.7613 -2 1 2 4 33.03 1.88 2.7116 -1 5 3 4 33.05 2.73 2.7101 0 6 3 4 33.55 1.43 2.6714 1 9 0 4 34.33 1.01 2.6123 2 4 1 4 34.91 1.18 2.5700 -1 6 3 4 35.00 2.90 2.5637 -2 4 2 4 35.16 1.24 2.5525 1 9 1 4 35.20 1.21 2.5494 0 1 4 4 35.97 2.52 2.4970 2 0 2 2 36.13 1.17 2.4862 2 1 2 4 37.13 1.39 2.4212 -1 9 2 4 37.61 3.29 2.3915 0 4 4 4 37.67 1.39 2.3882 -2 2 3 4 37.67 2.13 2.3881 0 8 3 4 37.79 1.70 2.3805 -1 3 4 4 37.97 1.74 2.3695 0 10 2 4 38.06 1.71 2.3641 0 11 1 4 38.19 1.00 2.3565 1 10 1 4 38.49 1.06 2.3390 2 4 2 4 38.83 2.28 2.3193 1 9 2 4 39.00 1.36 2.3097 0 5 4 4 39.55 1.28 2.2787 1 7 3 4 40.17 1.26 2.2450 -2 8 1 4 40.35 1.26 2.2354 1 2 4 4 40.53 1.27 2.2259 -1 11 1 4 41.32 2.16 2.1849 1 11 1 4 41.49 1.85 2.1764 0 12 1 4 42.97 1.09 2.1047 0 10 3 4 43.06 1.16 2.1008 -1 11 2 4 43.35 1.82 2.0874 1 5 4 4 45.42 1.55 1.9968 0 3 5 4 45.84 1.41 1.9797 0 11 3 4 45.90 1.06 1.9773 -3 0 2 2 46.68 1.23 1.9458 2 10 1 4 46.84 1.13 1.9395 0 9 4 4 47.62 1.16 1.9095 3 3 1 4 49.73 1.32 1.8333 -3 2 3 4 50.23 1.30 1.8163 3 1 2 4 50.56 1.70 1.8054 0 7 5 4 50.76 1.39 1.7987 1 13 2 4 51.06 1.02 1.7889 0 14 2 4 53.15 1.07 1.7233 3 5 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.