#------------------------------------------------------------------------------
#$Date: 2016-04-03 04:20:30 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181160 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/39/2223901.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2223901_Fobs
loop_
_publ_author_name
'Sun, Ting Ting'
'Meng, Lin'
'Shi, Jing Min'
_publ_section_title
;
Di-\m-nitrito-\k^3^O:O,O';\k^3^O,O':O-bis{[2,6-bis(pyrazol-1-yl-\kN^2^)pyridine-\kN](nitrito-\k^2^O,O')cadmium(II)}
;
_journal_coeditor_code LH2917
_journal_issue 11
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m1318
_journal_volume 65
_journal_year 2009
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 110.285
_cell_angle_beta 90.616
_cell_angle_gamma 112.155
_cell_length_a 7.7618
_cell_length_b 9.5522
_cell_length_c 10.9665
_exptl_crystal_F_000 408.00
_reflns_d_resolution_high 0.8108
_cod_data_source_file lh2917Isup2.hkl
_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' 90326bm in P-1'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 177.01
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
1 0 0 2254.90 2258.44 38.58 o
2 0 0 216.12 215.75 5.78 o
3 0 0 2109.86 2104.45 37.26 o
4 0 0 446.15 403.33 9.23 o
5 0 0 40.83 42.46 3.94 o
6 0 0 593.63 580.03 26.33 o
7 0 0 366.12 370.43 21.27 o
8 0 0 2.18 0.00 4.73 o
-9 1 0 100.17 146.47 16.49 o
-8 1 0 342.21 387.93 22.86 o
-7 1 0 466.04 419.90 22.18 o
-6 1 0 110.37 119.36 11.38 o
-5 1 0 1805.01 1836.44 41.93 o
-4 1 0 2780.25 2944.57 51.73 o
-3 1 0 85.28 92.36 2.98 o
-2 1 0 3840.79 3651.18 75.13 o
-1 1 0 9933.32 8258.56 172.74 o
0 1 0 275.78 267.13 7.66 o
1 1 0 443.38 441.40 8.50 o
2 1 0 3284.13 3156.19 54.51 o
3 1 0 3553.07 3735.94 64.88 o
4 1 0 102.51 109.81 4.18 o
5 1 0 1242.28 1233.88 30.13 o
6 1 0 782.66 793.39 33.58 o
7 1 0 0.04 0.00 3.09 o
8 1 0 102.69 109.96 13.76 o
-9 2 0 205.69 202.46 16.64 o
-8 2 0 31.94 44.33 8.80 o
-7 2 0 332.05 319.18 12.23 o
-6 2 0 1702.41 1688.92 39.96 o
-5 2 0 337.56 357.06 11.75 o
-4 2 0 582.81 576.00 15.12 o
-3 2 0 1220.71 1210.74 27.13 o
-2 2 0 4007.73 3926.67 66.90 o
-1 2 0 7791.30 7794.92 163.79 o
0 2 0 2244.86 2368.14 50.27 o
1 2 0 4498.07 4577.66 78.20 o
2 2 0 1040.44 1117.97 20.97 o
3 2 0 993.23 988.79 29.55 o
4 2 0 2031.93 2055.61 40.12 o
5 2 0 16.72 20.10 5.26 o
6 2 0 208.98 174.27 13.55 o
7 2 0 433.00 415.12 23.92 o
-9 3 0 16.81 19.60 7.26 o
-8 3 0 81.84 83.57 7.38 o
-7 3 0 423.94 421.33 14.63 o
-6 3 0 4.48 3.04 2.35 o
-5 3 0 1092.21 1164.34 28.16 o
-4 3 0 3349.28 3491.18 73.95 o
-3 3 0 391.03 374.22 10.12 o
-2 3 0 272.20 295.93 6.55 o
-1 3 0 2816.67 2984.64 68.80 o
0 3 0 4122.73 4335.35 74.24 o
1 3 0 816.27 897.07 17.35 o
2 3 0 914.53 898.88 17.87 o
3 3 0 1250.17 1311.05 25.40 o
4 3 0 7.20 10.67 6.49 o
5 3 0 22.24 20.28 5.44 o
6 3 0 484.94 461.95 24.38 o
7 3 0 148.40 172.22 16.34 o
-9 4 0 235.35 238.42 17.15 o
-8 4 0 695.42 727.67 22.40 o
-7 4 0 50.69 56.54 5.68 o
-6 4 0 800.48 831.86 32.99 o
-5 4 0 1729.07 1798.84 40.95 o
-4 4 0 407.01 480.93 13.11 o
-3 4 0 1404.04 1360.10 25.07 o
-2 4 0 9035.51 9264.85 259.62 o
-1 4 0 1306.70 1357.86 32.05 o
0 4 0 3278.98 3588.72 62.42 o
1 4 0 1095.25 982.98 19.34 o
2 4 0 2332.89 2538.89 45.90 o
3 4 0 6.54 13.23 2.89 o
4 4 0 832.54 834.22 23.44 o
5 4 0 752.18 761.80 32.57 o
6 4 0 19.92 22.00 6.68 o
-9 5 0 36.95 40.64 8.65 o
-8 5 0 221.35 234.16 11.03 o
-7 5 0 842.41 838.86 23.53 o
-6 5 0 854.59 814.10 21.88 o
-5 5 0 4.09 3.36 3.43 o
-4 5 0 1523.42 1535.67 28.76 o
-3 5 0 4767.37 5113.43 88.21 o
-2 5 0 1.47 2.56 5.13 o
-1 5 0 1909.82 1984.01 69.66 o
0 5 0 2539.24 2570.80 46.03 o
1 5 0 1260.88 1195.71 24.23 o
2 5 0 46.74 55.52 4.73 o
3 5 0 1316.78 1293.17 32.84 o
4 5 0 490.00 502.25 26.43 o
5 5 0 8.50 20.36 6.45 o
6 5 0 41.18 56.29 9.96 o
-9 6 0 44.30 53.76 10.55 o
-8 6 0 379.12 419.01 23.67 o
-7 6 0 385.31 352.91 20.26 o
-6 6 0 1.84 0.00 2.98 o
-5 6 0 1194.63 1230.41 45.65 o
-4 6 0 1390.87 1385.29 34.66 o
-3 6 0 10.56 8.51 2.53 o
-2 6 0 3401.13 3517.69 78.92 o
-1 6 0 4252.12 4581.17 100.76 o
0 6 0 529.78 495.81 17.92 o
1 6 0 74.02 84.37 8.45 o
2 6 0 1409.95 1432.72 53.31 o
3 6 0 165.31 176.62 13.40 o
4 6 0 162.94 174.29 13.86 o
-9 7 0 264.61 277.06 20.46 o
-8 7 0 23.92 23.59 7.16 o
-7 7 0 266.15 253.17 17.40 o
-6 7 0 700.65 690.08 31.21 o
-5 7 0 515.49 494.54 22.72 o
-4 7 0 229.48 227.97 9.96 o
-3 7 0 864.28 893.09 25.04 o
-2 7 0 1349.74 1344.45 34.51 o
-1 7 0 131.73 139.35 7.58 o
0 7 0 399.33 398.39 13.98 o
1 7 0 906.62 799.10 34.39 o
2 7 0 54.46 51.89 8.50 o
3 7 0 44.42 49.87 8.80 o
4 7 0 349.40 395.57 23.34 o
-8 8 0 205.56 196.06 16.41 o
-7 8 0 126.45 103.63 12.95 o
-6 8 0 3.89 7.81 4.91 o
-5 8 0 683.87 642.83 32.76 o
-4 8 0 625.45 647.99 32.95 o
-3 8 0 1912.81 1951.17 53.90 o
-2 8 0 468.39 473.65 16.37 o
-1 8 0 403.90 393.94 14.47 o
0 8 0 592.12 589.54 19.20 o
1 8 0 22.22 30.32 7.23 o
2 8 0 218.87 229.09 17.07 o
3 8 0 376.96 393.95 23.70 o
-8 9 0 119.62 103.81 14.11 o
-7 9 0 16.22 21.34 7.11 o
-6 9 0 360.98 327.67 20.86 o
-5 9 0 657.93 671.69 22.23 o
-4 9 0 19.98 20.08 4.32 o
-3 9 0 863.15 828.82 35.37 o
-2 9 0 995.16 957.05 27.80 o
-1 9 0 169.14 166.58 12.10 o
0 9 0 33.89 43.52 8.62 o
1 9 0 331.76 325.54 21.32 o
-7 10 0 359.09 332.14 22.71 o
-6 10 0 330.44 340.89 22.48 o
-5 10 0 9.80 9.03 3.96 o
-4 10 0 306.26 298.82 13.89 o
-3 10 0 754.35 778.34 25.09 o
-2 10 0 25.71 30.43 5.16 o
-1 10 0 101.37 92.56 12.67 o
0 10 0 327.20 343.12 22.73 o
-4 11 0 278.28 287.76 14.32 o
2 -11 1 14.86 22.28 7.59 o
3 -11 1 303.02 312.31 16.07 o
4 -11 1 323.21 307.25 14.55 o
5 -11 1 58.99 58.74 7.38 o
0 -10 1 88.08 72.38 11.25 o
1 -10 1 110.49 98.58 12.80 o
2 -10 1 418.54 404.77 15.86 o
3 -10 1 338.63 380.87 22.80 o
4 -10 1 2.70 4.02 4.58 o
5 -10 1 491.97 481.50 28.61 o
6 -10 1 391.77 370.36 22.81 o
7 -10 1 60.84 35.30 9.08 o
-2 -9 1 375.16 378.25 23.47 o
-1 -9 1 2.27 9.86 5.39 o
0 -9 1 185.13 179.20 14.69 o
1 -9 1 220.44 237.98 10.97 o
2 -9 1 269.98 250.11 17.15 o
3 -9 1 135.97 123.20 8.62 o
4 -9 1 1357.08 1314.59 60.78 o
5 -9 1 1134.23 1139.83 49.83 o
6 -9 1 6.49 0.91 4.43 o
7 -9 1 170.30 181.57 15.63 o
8 -9 1 252.68 244.49 18.92 o
-3 -8 1 378.83 447.41 25.59 o
-2 -8 1 2.78 0.76 4.22 o
-1 -8 1 434.93 403.38 22.68 o
0 -8 1 1086.66 1078.17 43.95 o
1 -8 1 283.88 279.71 11.44 o
2 -8 1 1357.21 1283.21 33.73 o
3 -8 1 1031.87 985.33 27.45 o
4 -8 1 432.75 395.71 14.50 o
5 -8 1 515.55 477.03 16.49 o
6 -8 1 309.06 358.14 20.96 o
7 -8 1 490.93 418.63 24.02 o
8 -8 1 2.79 4.63 5.36 o
-4 -7 1 107.74 136.10 13.96 o
-3 -7 1 1.75 3.41 4.02 o
-2 -7 1 1352.22 1324.10 51.51 o
-1 -7 1 689.86 620.21 28.58 o
0 -7 1 168.80 148.73 16.63 o
1 -7 1 1216.94 1153.30 44.13 o
2 -7 1 330.93 307.76 11.57 o
3 -7 1 441.19 440.46 16.36 o
4 -7 1 390.26 350.97 43.94 o
5 -7 1 1627.97 1616.20 40.22 o
6 -7 1 432.27 414.76 22.08 o
7 -7 1 29.97 28.32 7.08 o
8 -7 1 336.59 314.95 20.41 o
9 -7 1 105.49 85.35 12.42 o
-5 -6 1 86.31 98.68 11.78 o
-4 -6 1 24.52 25.09 4.43 o
-3 -6 1 296.31 308.16 12.04 o
-2 -6 1 166.82 182.69 8.32 o
-1 -6 1 440.72 474.33 11.52 o
0 -6 1 1481.89 1537.19 43.76 o
1 -6 1 2035.72 2050.57 47.92 o
2 -6 1 111.86 116.91 6.63 o
3 -6 1 3268.66 3385.60 75.75 o
4 -6 1 5326.77 5418.63 145.71 o
5 -6 1 63.07 70.30 5.08 o
6 -6 1 760.75 706.77 30.37 o
7 -6 1 477.84 485.50 24.53 o
8 -6 1 46.02 37.86 8.07 o
9 -6 1 30.00 28.02 7.94 o
-6 -5 1 14.28 12.54 6.32 o
-5 -5 1 342.00 338.59 19.85 o
-4 -5 1 579.01 572.95 30.69 o
-3 -5 1 558.32 562.82 34.23 o
-2 -5 1 706.15 693.72 19.29 o
-1 -5 1 1419.95 1358.49 26.03 o
0 -5 1 162.81 143.92 4.62 o
1 -5 1 1599.30 1763.80 31.88 o
2 -5 1 5966.80 6343.17 135.97 o
3 -5 1 1475.99 1462.85 34.72 o
4 -5 1 4.06 4.25 1.27 o
5 -5 1 1753.46 1808.83 41.15 o
6 -5 1 524.26 521.42 21.79 o
7 -5 1 1139.55 1119.47 29.48 o
8 -5 1 285.07 273.34 11.99 o
9 -5 1 252.07 276.48 13.05 o
-6 -4 1 199.06 176.31 14.49 o
-5 -4 1 501.88 507.83 25.01 o
-4 -4 1 405.32 413.66 40.69 o
-3 -4 1 1740.90 1754.68 41.72 o
-2 -4 1 2550.56 2652.46 47.53 o
-1 -4 1 488.19 534.81 11.53 o
0 -4 1 884.29 848.66 16.41 o
1 -4 1 4661.39 4806.44 103.10 o
2 -4 1 1565.14 1585.87 36.34 o
3 -4 1 551.38 700.38 16.80 o
4 -4 1 2296.40 2403.51 52.08 o
5 -4 1 819.63 748.04 19.59 o
6 -4 1 116.92 105.18 8.17 o
7 -4 1 2024.96 2025.01 47.91 o
8 -4 1 350.78 390.31 14.88 o
9 -4 1 55.74 69.65 10.62 o
-7 -3 1 263.40 290.47 20.18 o
-6 -3 1 131.47 127.20 13.25 o
-5 -3 1 392.85 389.17 20.51 o
-4 -3 1 742.11 726.47 21.17 o
-3 -3 1 2218.71 2284.78 41.40 o
-2 -3 1 29.25 26.80 2.15 o
-1 -3 1 3772.98 3851.47 66.43 o
0 -3 1 3418.77 3502.15 75.15 o
1 -3 1 193.45 201.60 8.09 o
2 -3 1 2757.26 2837.50 48.97 o
3 -3 1 4843.63 4984.86 85.09 o
4 -3 1 1447.29 1546.09 34.84 o
5 -3 1 1.49 3.05 1.67 o
6 -3 1 205.97 210.12 8.78 o
7 -3 1 245.29 235.14 24.08 o
8 -3 1 22.32 28.51 9.14 o
9 -3 1 213.53 230.15 17.42 o
-8 -2 1 101.43 107.43 14.19 o
-7 -2 1 148.42 159.04 15.48 o
-6 -2 1 92.17 77.92 10.37 o
-5 -2 1 1801.95 1901.63 45.45 o
-4 -2 1 1327.48 1330.87 39.40 o
-3 -2 1 68.22 70.07 3.53 o
-2 -2 1 2105.97 2127.05 37.57 o
-1 -2 1 864.23 917.85 20.72 o
0 -2 1 30.59 32.08 2.10 o
1 -2 1 7567.96 7390.16 154.84 o
2 -2 1 6119.22 6008.51 101.55 o
3 -2 1 148.48 189.30 27.79 o
4 -2 1 3260.72 3471.81 73.67 o
5 -2 1 1894.86 1972.80 44.66 o
6 -2 1 654.69 566.26 16.95 o
7 -2 1 9.09 16.14 5.10 o
8 -2 1 326.17 345.70 20.61 o
9 -2 1 73.85 83.61 12.80 o
-8 -1 1 10.26 9.08 5.18 o
-7 -1 1 697.41 677.11 32.40 o
-6 -1 1 1151.61 1170.42 44.89 o
-5 -1 1 355.85 369.73 12.32 o
-4 -1 1 1044.53 1118.30 21.72 o
-3 -1 1 2775.37 2732.80 47.97 o
-2 -1 1 38.75 37.63 1.86 o
-1 -1 1 40.31 36.61 1.45 o
0 -1 1 10282.25 8279.32 175.01 o
1 -1 1 3469.54 3410.38 57.95 o
2 -1 1 2683.20 2922.91 60.88 o
3 -1 1 10950.47 10331.15 210.08 o
4 -1 1 883.65 791.40 15.57 o
5 -1 1 444.49 445.59 13.44 o
6 -1 1 62.91 73.54 14.41 o
7 -1 1 1331.41 1232.12 46.66 o
8 -1 1 46.80 47.80 9.21 o
-8 0 1 47.64 49.19 9.86 o
-7 0 1 251.27 271.45 17.90 o
-6 0 1 25.91 50.02 8.07 o
-5 0 1 1234.39 1266.08 24.69 o
-4 0 1 723.30 667.33 13.78 o
-3 0 1 6.71 7.41 1.17 o
-2 0 1 1683.00 1733.82 38.58 o
0 0 1 3409.55 3456.03 100.98 o
1 0 1 60.90 47.94 1.72 o
2 0 1 15824.54 14335.37 241.21 o
3 0 1 3233.73 3209.31 55.81 o
4 0 1 611.90 684.30 14.16 o
5 0 1 1742.96 1736.54 48.72 o
6 0 1 1295.78 1236.69 31.18 o
7 0 1 1.17 0.00 3.34 o
8 0 1 86.73 86.11 12.47 o
-9 1 1 118.36 91.72 13.76 o
-8 1 1 289.40 292.16 19.60 o
-7 1 1 162.12 158.23 12.97 o
-6 1 1 1263.81 1322.48 32.60 o
-5 1 1 2019.51 2094.61 38.44 o
-4 1 1 14.28 13.07 1.55 o
-3 1 1 3674.04 3707.77 63.88 o
-2 1 1 836.59 855.47 27.72 o
-1 1 1 3.47 6.47 1.82 o
0 1 1 3145.76 3199.74 54.48 o
1 1 1 17293.83 15377.67 457.01 o
2 1 1 6843.57 6836.00 129.20 o
3 1 1 128.60 133.01 4.36 o
4 1 1 799.68 838.26 20.02 o
5 1 1 353.06 334.54 11.45 o
6 1 1 14.57 23.67 5.82 o
7 1 1 168.60 163.62 13.83 o
8 1 1 138.92 169.61 16.92 o
-9 2 1 4.24 15.10 6.70 o
-8 2 1 149.63 166.48 14.09 o
-7 2 1 658.45 647.77 42.85 o
-6 2 1 245.31 224.77 9.25 o
-5 2 1 252.92 247.86 6.88 o
-4 2 1 3809.71 3709.72 78.45 o
-3 2 1 1236.09 1291.43 28.98 o
-2 2 1 1.37 1.47 1.52 o
-1 2 1 2332.28 2381.01 51.78 o
0 2 1 3625.16 3456.65 59.32 o
1 2 1 2147.59 2219.94 39.23 o
2 2 1 366.84 338.91 8.05 o
3 2 1 1397.53 1467.65 27.73 o
4 2 1 264.71 269.86 8.71 o
5 2 1 2.95 20.38 4.98 o
6 2 1 682.72 659.43 29.94 o
7 2 1 171.38 157.02 15.33 o
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-8 3 1 391.48 425.51 22.99 o
-7 3 1 143.72 150.39 8.05 o
-6 3 1 180.83 161.60 15.46 o
-5 3 1 2792.56 2943.76 64.17 o
-4 3 1 294.32 291.91 9.32 o
-3 3 1 1699.99 1820.60 39.78 o
-2 3 1 2755.53 2716.60 61.89 o
-1 3 1 2529.54 2590.65 57.07 o
0 3 1 1102.32 1213.58 22.53 o
1 3 1 3191.86 3402.38 59.51 o
2 3 1 3104.64 3352.40 59.19 o
3 3 1 39.93 39.07 3.07 o
4 3 1 6.58 5.34 1.82 o
5 3 1 1122.11 1078.87 41.35 o
6 3 1 2.22 0.00 3.57 o
7 3 1 64.39 63.60 11.23 o
-9 4 1 18.08 19.78 6.88 o
-8 4 1 75.21 79.37 7.34 o
-7 4 1 1199.27 1231.49 42.73 o
-6 4 1 762.60 746.17 34.89 o
-5 4 1 303.29 307.89 11.41 o
-4 4 1 1034.48 1059.28 25.29 o
-3 4 1 3788.72 3902.07 67.86 o
-2 4 1 1273.58 1368.82 52.20 o
-1 4 1 1993.20 2075.76 68.13 o
0 4 1 2370.24 2296.39 41.19 o
1 4 1 1012.25 1047.33 20.79 o
2 4 1 243.61 274.49 9.38 o
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4 4 1 2138.07 2226.80 59.38 o
5 4 1 2.88 0.00 3.46 o
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-7 5 1 203.54 181.95 13.55 o
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-4 5 1 1987.46 1958.83 65.47 o
-3 5 1 124.65 115.65 7.51 o
-2 5 1 1637.11 1717.98 41.06 o
-1 5 1 6234.88 6526.07 140.63 o
0 5 1 995.11 976.80 25.75 o
1 5 1 193.39 200.59 7.65 o
2 5 1 1595.02 1539.02 30.20 o
3 5 1 283.21 283.29 14.45 o
4 5 1 1.43 4.56 2.70 o
5 5 1 307.60 329.06 19.47 o
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-3 6 1 1294.13 1407.07 71.07 o
-2 6 1 2509.81 2532.60 59.04 o
-1 6 1 123.62 113.54 10.44 o
0 6 1 541.06 506.44 16.07 o
1 6 1 1629.01 1637.53 40.63 o
2 6 1 681.18 620.11 28.27 o
3 6 1 18.39 16.77 5.13 o
-9 7 1 79.85 81.89 12.64 o
-8 7 1 119.85 121.54 14.14 o
-7 7 1 1198.24 1146.93 46.56 o
-6 7 1 482.49 450.70 23.82 o
-5 7 1 109.07 102.90 11.30 o
-4 7 1 231.43 239.81 10.68 o
-3 7 1 245.63 244.73 12.28 o
-2 7 1 20.76 19.85 3.61 o
-1 7 1 1418.62 1470.39 37.53 o
0 7 1 1493.96 1452.53 37.45 o
1 7 1 17.58 29.27 4.60 o
2 7 1 120.86 126.85 12.54 o
3 7 1 302.43 303.85 19.42 o
-8 8 1 334.56 318.94 21.52 o
-7 8 1 63.55 52.47 9.66 o
-6 8 1 269.25 243.71 17.25 o
-5 8 1 590.30 527.85 26.93 o
-4 8 1 430.93 397.08 15.34 o
-3 8 1 116.13 126.55 11.53 o
-2 8 1 842.60 797.03 24.04 o
-1 8 1 401.04 396.57 25.73 o
0 8 1 119.87 95.73 10.61 o
1 8 1 134.79 141.62 12.87 o
2 8 1 290.78 292.85 19.60 o
-7 9 1 170.17 160.86 16.44 o
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-1 9 1 91.20 98.99 9.02 o
0 9 1 544.67 566.12 29.87 o
1 9 1 255.61 254.25 18.94 o
-6 10 1 0.99 0.00 5.03 o
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