PdBr2(C7H8N4)2CH3OH Hage R, de Graaff R A G, Haasnoot J G, Kieler K, Reedijk J Acta Crystallographica C46 (1990) 2349-2351 Structure of trans-dibromobis(5,7-dimethyl-8H-[1,2,4]triazolo[1,5-a] pyrimidine)-palladium(II) methanol solvate _database_code_amcsd 0010240 CELL PARAMETERS: 9.1530 8.8580 8.3170 123.540 92.250 109.310 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 508.871 Density (g/cm3): 1.966 MAX. ABS. INTENSITY / VOLUME**2: 15.26393476 RIR: 2.529 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.68 32.91 8.2870 1 0 0 2 11.87 36.07 7.4542 0 -1 1 2 13.02 100.00 6.7974 -1 1 0 2 13.23 31.54 6.6898 0 1 0 2 13.31 26.28 6.6505 0 0 1 2 14.54 9.62 6.0936 -1 0 1 2 19.33 8.34 4.5926 1 0 1 2 19.87 9.01 4.4693 -2 1 0 2 20.28 20.94 4.3782 1 1 0 2 20.32 10.65 4.3707 1 -2 1 2 21.41 9.32 4.1496 0 -2 1 2 21.45 29.58 4.1435 2 0 0 2 21.95 2.91 4.0499 -1 1 1 2 22.88 4.61 3.8867 2 -1 1 2 23.23 2.66 3.8289 -1 -1 2 2 24.11 33.51 3.6907 -1 2 0 2 24.50 16.83 3.6335 2 -2 1 2 24.97 4.99 3.5658 1 -1 2 2 25.05 2.90 3.5545 -2 1 1 2 25.90 20.70 3.4397 -1 0 2 2 26.18 2.49 3.4043 -2 -1 1 2 26.22 10.93 3.3987 -2 2 0 2 26.65 27.09 3.3449 0 2 0 2 26.81 5.18 3.3253 0 0 2 2 28.41 7.88 3.1414 2 0 1 2 29.30 4.25 3.0485 -3 1 0 2 29.31 1.36 3.0468 -2 0 2 2 29.78 9.05 2.9999 2 1 0 2 30.85 1.95 2.8983 1 -3 2 2 31.22 1.89 2.8647 1 -3 1 2 32.06 4.74 2.7922 3 -2 1 2 32.13 6.72 2.7858 -3 2 0 2 32.28 2.29 2.7737 2 -3 1 2 32.41 4.00 2.7623 3 0 0 2 32.42 4.23 2.7616 0 -2 3 2 32.78 5.75 2.7320 3 -1 1 2 32.84 7.89 2.7270 1 2 0 2 33.88 1.25 2.6459 0 -3 1 2 34.03 10.97 2.6347 -1 -1 3 2 34.14 1.50 2.6265 0 -1 3 2 34.20 7.55 2.6217 -1 -2 3 2 34.25 4.02 2.6182 1 -2 3 2 35.93 1.00 2.4996 -3 0 2 2 36.15 3.06 2.4847 0 -3 3 2 36.75 3.89 2.4453 3 -3 1 2 36.81 1.78 2.4414 -2 3 0 2 37.05 4.43 2.4263 -1 3 0 2 37.32 4.75 2.4092 -2 -1 3 2 37.63 1.06 2.3906 1 -1 3 2 38.31 1.89 2.3494 2 1 1 2 38.66 3.59 2.3288 3 0 1 2 38.98 4.53 2.3105 -1 0 3 2 39.16 3.72 2.3004 -2 -2 3 2 39.44 4.74 2.2845 -1 -3 3 2 39.73 2.39 2.2688 -4 1 0 2 39.78 2.13 2.2658 -3 3 0 2 40.25 1.43 2.2406 3 1 0 2 40.37 4.84 2.2344 -2 0 3 2 40.45 3.40 2.2299 0 3 0 2 40.70 2.24 2.2168 0 0 3 2 41.24 1.38 2.1891 2 2 0 2 41.37 4.97 2.1827 4 -2 1 2 42.52 1.07 2.1261 1 2 1 2 42.57 2.02 2.1236 1 -4 3 2 43.29 3.24 2.0901 2 -4 1 2 43.36 2.02 2.0868 -3 -1 3 2 43.48 3.47 2.0811 4 -1 1 2 43.69 1.71 2.0718 4 0 0 2 43.75 1.82 2.0689 4 -3 1 2 43.94 1.59 2.0608 0 -2 4 2 44.14 1.07 2.0519 0 -4 3 2 44.32 1.29 2.0439 0 -3 4 2 44.34 1.64 2.0429 -1 -2 4 2 44.61 2.09 2.0312 -3 0 3 2 45.23 1.12 2.0050 1 0 3 2 45.26 2.53 2.0036 1 -3 4 2 45.38 1.82 1.9986 -2 -3 3 2 45.43 1.60 1.9964 3 -4 1 2 46.18 1.34 1.9659 -1 -3 4 2 46.34 2.72 1.9594 1 -2 4 2 46.43 1.56 1.9557 1 3 0 2 46.44 2.62 1.9552 -3 -2 3 2 46.78 1.71 1.9421 -1 -1 4 2 47.50 3.48 1.9140 -2 1 3 2 47.72 1.68 1.9060 -1 1 3 2 48.10 1.81 1.8916 3 1 1 2 48.37 1.98 1.8818 -1 -4 3 2 48.37 1.52 1.8817 1 -4 4 2 48.87 2.25 1.8636 0 -4 4 2 48.87 2.07 1.8635 2 -3 4 2 49.39 2.38 1.8454 -2 4 0 2 49.65 1.85 1.8363 4 0 1 2 49.94 1.27 1.8263 -3 1 3 2 50.13 1.95 1.8196 4 -4 1 2 50.49 1.57 1.8077 2 -4 4 2 50.93 1.83 1.7931 -1 4 0 2 51.01 1.96 1.7903 3 2 0 2 51.15 1.50 1.7858 -4 0 3 2 51.37 1.49 1.7786 -4 -1 3 2 51.41 1.30 1.7774 1 -1 4 2 51.77 1.14 1.7659 5 -2 1 2 52.50 2.13 1.7431 5 -3 1 2 53.26 1.89 1.7199 -2 0 4 2 54.35 1.28 1.6881 2 3 0 2 54.44 1.15 1.6855 -5 1 2 2 54.44 1.06 1.6853 -5 0 2 2 54.77 1.12 1.6762 3 -3 4 2 54.85 1.27 1.6739 5 -1 1 2 54.90 1.23 1.6724 0 4 0 2 55.00 1.03 1.6696 3 -4 4 2 55.14 1.87 1.6657 1 -5 4 2 56.69 1.05 1.6238 3 -5 1 2 57.23 1.31 1.6098 2 -1 4 2 57.59 1.23 1.6005 -2 2 3 2 58.19 1.50 1.5855 3 -2 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.