#------------------------------------------------------------------------------
#$Date: 2011-10-06 14:27:20 +0300 (Thu, 06 Oct 2011) $
#$Revision: 27511 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/11/2231146.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_2231146_Fobs
loop_
_publ_author_name
'Zhu, Xue-Hua'
'Yang, Xiao-Yuan'
'Song, Rui-Feng'
'Li, Hai-Yan'
_publ_section_title
;
 <i>catena</i>-Poly[[dibromidomercury(II)]-\m-3,6-bis(2-pyridylsulfanyl)pyridazine-\k^2^<i>N</i>^3^:<i>N</i>^6^]
;
_journal_coeditor_code           HG5063
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1111
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 117.444
_cell_angle_gamma                90.000
_cell_length_a                   16.3927
_cell_length_b                   12.4954
_cell_length_c                   9.7648
_exptl_crystal_F_000             1216.00
_reflns_d_resolution_high        0.7701
_[local]_cod_data_source_file    hg5063Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  _s090513b'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            669.72
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
4 0 0 5192.53 5709.16 86.62 o
6 0 0 79486.23 80941.48 645.16 o
8 0 0 146162.34 149069.36 1022.96 o
10 0 0 10658.50 10479.00 256.82 o
12 0 0 151.20 153.02 61.57 o
14 0 0 22842.94 23032.32 581.29 o
16 0 0 12242.52 11659.93 777.19 o
3 1 0 2305.95 2457.94 148.82 o
5 1 0 3300.85 3222.46 75.73 o
7 1 0 10186.17 10543.48 103.64 o
9 1 0 168.75 184.98 38.58 o
11 1 0 3900.94 3732.90 113.46 o
13 1 0 645.92 551.17 94.96 o
15 1 0 1326.03 1367.83 138.06 o
17 1 0 814.67 525.76 267.31 o
2 2 0 119718.73 112158.59 1298.33 o
4 2 0 6511.32 5893.53 173.57 o
6 2 0 78936.35 82498.28 657.11 o
8 2 0 103827.37 108199.66 1894.13 o
10 2 0 7044.29 6763.33 145.14 o
12 2 0 2243.99 1991.36 113.30 o
14 2 0 16861.31 17011.48 483.20 o
16 2 0 14087.13 14369.98 596.15 o
1 3 0 55128.16 50504.87 1134.65 o
3 3 0 49696.51 42835.62 1644.98 o
5 3 0 18799.60 17935.16 390.75 o
7 3 0 21491.44 22340.06 391.26 o
9 3 0 7235.44 7215.23 161.22 o
11 3 0 12188.58 12285.48 233.24 o
13 3 0 1430.49 1339.85 128.93 o
15 3 0 6424.01 5887.69 302.62 o
17 3 0 966.29 589.05 280.75 o
0 4 0 57153.65 55225.11 1078.24 o
2 4 0 66001.34 62235.12 1292.25 o
4 4 0 73556.68 79035.80 1035.79 o
6 4 0 48585.38 52926.69 463.11 o
8 4 0 22966.51 25652.76 365.60 o
10 4 0 17683.06 18804.13 441.41 o
12 4 0 16123.76 17503.60 528.46 o
14 4 0 8740.75 8389.26 222.90 o
16 4 0 3892.32 3191.64 723.05 o
1 5 0 21210.10 20262.12 578.67 o
3 5 0 34589.18 33533.59 761.22 o
5 5 0 15936.01 17658.59 490.73 o
7 5 0 16183.16 17431.24 313.04 o
9 5 0 3537.10 4043.66 171.67 o
11 5 0 7093.72 7702.57 238.13 o
13 5 0 50.28 96.51 48.55 o
15 5 0 6573.31 5548.17 402.70 o
17 5 0 364.16 291.92 161.45 o
0 6 0 440.06 561.06 232.05 o
2 6 0 58400.84 60216.05 940.15 o
4 6 0 160496.70 162434.94 1943.90 o
6 6 0 31126.80 36621.96 1102.78 o
8 6 0 985.49 1273.61 269.57 o
10 6 0 23595.93 26729.27 650.63 o
12 6 0 33052.25 37667.70 368.05 o
14 6 0 3055.93 2750.33 201.45 o
16 6 0 399.67 235.18 110.02 o
1 7 0 6006.69 6702.05 341.93 o
3 7 0 2420.64 3353.46 1019.25 o
5 7 0 509.16 766.07 306.96 o
7 7 0 1028.95 1021.06 235.80 o
9 7 0 362.40 444.98 139.73 o
11 7 0 179.07 231.58 76.91 o
13 7 0 710.18 565.16 141.45 o
15 7 0 641.72 496.76 135.00 o
0 8 0 225.17 429.17 284.92 o
2 8 0 31171.05 31175.59 998.78 o
4 8 0 108423.02 113523.78 2109.86 o
6 8 0 8654.43 10686.31 520.04 o
8 8 0 181.77 80.55 67.31 o
10 8 0 33070.27 34607.79 978.80 o
12 8 0 28691.99 30191.22 567.37 o
14 8 0 1353.50 1084.95 304.92 o
16 8 0 57.67 107.21 104.10 o
1 9 0 3631.20 4084.17 728.33 o
3 9 0 3758.68 4270.39 761.70 o
5 9 0 4963.56 5126.70 604.99 o
7 9 0 14.08 45.36 136.38 o
9 9 0 3138.50 2917.20 558.94 o
11 9 0 1291.24 1302.88 296.78 o
13 9 0 2944.22 2941.82 229.29 o
15 9 0 139.53 77.77 87.75 o
0 10 0 1182.09 1363.96 449.33 o
2 10 0 16568.50 16733.25 745.05 o
4 10 0 31341.15 33995.31 2091.83 o
6 10 0 12284.71 14329.99 812.60 o
8 10 0 5238.78 6640.77 523.97 o
10 10 0 11573.42 12161.10 900.43 o
12 10 0 13810.89 14210.57 524.32 o
14 10 0 1490.85 1232.76 276.26 o
1 11 0 8821.60 8191.80 516.88 o
3 11 0 6984.07 7091.28 598.26 o
5 11 0 6993.56 7079.15 451.13 o
7 11 0 4921.77 5429.69 447.82 o
9 11 0 393.49 546.32 184.53 o
11 11 0 5174.02 5272.56 378.99 o
13 11 0 1298.55 913.82 197.50 o
0 12 0 15548.76 15168.08 875.49 o
2 12 0 10669.08 10553.34 533.44 o
4 12 0 7290.59 7409.99 758.80 o
6 12 0 8461.21 9197.10 627.42 o
8 12 0 12329.08 14243.16 625.48 o
10 12 0 7135.15 7060.27 612.71 o
12 12 0 994.08 810.85 289.04 o
1 13 0 1014.94 1391.09 414.46 o
3 13 0 4074.50 3985.28 1019.94 o
5 13 0 1745.60 2063.41 455.08 o
7 13 0 1081.15 1170.18 336.98 o
9 13 0 1.72 225.37 122.81 o
11 13 0 3524.80 2934.62 278.88 o
0 14 0 22062.46 19719.09 1036.68 o
2 14 0 6038.56 5333.21 958.84 o
4 14 0 162.86 295.93 182.86 o
6 14 0 5314.13 4997.89 1336.08 o
8 14 0 12511.94 13705.42 505.75 o
1 15 0 195.38 229.33 180.58 o
3 15 0 857.71 727.03 333.79 o
5 15 0 81.56 110.13 122.62 o
7 15 0 10.51 65.20 124.57 o
0 16 0 10539.63 7438.40 1927.06 o
2 16 0 2664.52 2085.61 691.41 o
-17 1 1 8653.88 8866.84 406.80 o
-15 1 1 4922.88 4688.41 178.25 o
-13 1 1 10948.78 10140.40 197.17 o
-11 1 1 44314.53 44059.06 625.70 o
-9 1 1 76538.53 79828.62 773.96 o
-7 1 1 21752.45 21285.62 311.33 o
-5 1 1 5604.77 5254.53 79.98 o
-3 1 1 43650.16 43183.68 450.30 o
1 1 1 63119.68 63439.85 513.18 o
3 1 1 8102.15 7436.48 178.33 o
5 1 1 83028.08 86144.81 574.44 o
7 1 1 101849.34 107256.93 854.79 o
9 1 1 17464.43 17465.47 341.95 o
11 1 1 4707.48 4620.95 173.65 o
13 1 1 21663.17 20464.51 471.67 o
15 1 1 16818.95 16998.59 573.87 o
17 1 1 576.01 308.16 166.95 o
-16 2 1 550.61 343.16 200.90 o
-14 2 1 1324.34 1094.60 158.18 o
-12 2 1 5.62 68.64 41.66 o
-10 2 1 3816.84 3622.26 190.39 o
-8 2 1 100.50 177.29 41.91 o
-6 2 1 3821.80 3498.82 112.79 o
-4 2 1 2024.05 1725.23 252.36 o
-2 2 1 17443.31 15713.11 778.14 o
0 2 1 2909.83 2548.71 153.77 o
2 2 1 30050.44 29476.71 842.73 o
4 2 1 270.83 403.32 75.80 o
6 2 1 22288.70 22828.20 293.43 o
8 2 1 1970.78 2058.09 112.72 o
10 2 1 8553.30 8504.35 158.41 o
12 2 1 105.83 102.32 35.09 o
14 2 1 1880.86 1519.00 71.22 o
16 2 1 10.44 80.54 123.50 o
-17 3 1 6073.32 5733.25 308.78 o
-15 3 1 8995.24 8915.34 282.37 o
-13 3 1 15087.00 15281.62 327.71 o
-11 3 1 24740.72 26403.09 380.41 o
-9 3 1 23320.01 24029.64 418.41 o
-7 3 1 56994.32 60926.67 651.27 o
-5 3 1 64806.32 65233.00 4127.38 o
-3 3 1 56034.20 50256.75 2501.17 o
-1 3 1 87285.97 75990.36 1872.63 o
1 3 1 54602.65 49123.25 973.18 o
3 3 1 44266.56 44443.21 482.44 o
5 3 1 54254.18 59167.47 724.76 o
7 3 1 67905.36 72332.84 941.72 o
9 3 1 19831.78 20480.71 312.93 o
11 3 1 5832.54 5711.58 157.65 o
13 3 1 12622.87 12612.80 402.74 o
15 3 1 8281.40 7058.25 700.23 o
17 3 1 2717.57 1964.26 555.37 o
-16 4 1 36.11 95.73 52.93 o
-14 4 1 2276.83 2153.33 146.50 o
-12 4 1 181.87 195.33 50.19 o
-10 4 1 14038.61 14850.07 274.22 o
-8 4 1 4482.66 4760.58 139.69 o
-6 4 1 14043.77 13426.85 355.95 o
-4 4 1 43.31 418.82 151.39 o
-2 4 1 41297.55 36053.96 639.14 o
0 4 1 4881.48 4392.62 334.19 o
2 4 1 10049.72 9405.27 413.97 o
4 4 1 411.15 552.67 146.14 o
6 4 1 18522.53 19530.94 457.75 o
8 4 1 202.37 320.92 85.58 o
10 4 1 5603.19 5715.30 197.96 o
12 4 1 421.80 389.38 67.14 o
14 4 1 1556.05 1275.94 269.07 o
16 4 1 2.92 75.83 103.84 o
-15 5 1 11929.84 11153.62 373.09 o
-13 5 1 16858.64 17592.91 330.58 o
-11 5 1 10654.76 11636.37 242.56 o
-9 5 1 14948.48 16665.64 460.73 o
-7 5 1 44367.16 48027.15 1434.94 o
-5 5 1 66408.85 68057.41 3629.58 o
-3 5 1 37156.88 37540.17 603.04 o
-1 5 1 20893.27 18994.10 583.20 o
1 5 1 50243.54 44995.78 1000.15 o
3 5 1 89144.88 94350.15 870.64 o
5 5 1 22273.96 22528.03 560.76 o
7 5 1 11338.32 11706.83 302.15 o
9 5 1 33258.93 37818.85 745.33 o
11 5 1 24027.28 25177.86 530.07 o
13 5 1 3777.77 3750.52 130.43 o
15 5 1 2456.95 2084.69 969.11 o
-16 6 1 312.36 235.47 111.08 o
-14 6 1 37.90 73.03 43.75 o
-12 6 1 299.64 371.44 79.23 o
-10 6 1 1872.23 2012.02 199.14 o
-8 6 1 1415.07 1462.28 420.45 o
-6 6 1 26.30 95.06 87.02 o
-4 6 1 7.99 73.43 166.72 o
-2 6 1 1240.54 1421.17 392.42 o
0 6 1 12682.50 12564.04 586.90 o
2 6 1 51.86 307.69 149.12 o
4 6 1 476.04 592.13 200.87 o
6 6 1 6044.26 7223.80 359.98 o
8 6 1 681.97 839.85 163.16 o
10 6 1 1960.88 1976.13 198.18 o
12 6 1 232.71 213.29 86.50 o
14 6 1 865.18 884.88 208.24 o
16 6 1 9.85 50.30 151.49 o
-15 7 1 9127.08 9422.60 322.56 o
-13 7 1 17761.85 20070.52 550.92 o
-11 7 1 6324.36 6615.46 326.39 o
-9 7 1 6023.73 6561.54 299.86 o
-7 7 1 33883.71 37483.75 2136.28 o
-5 7 1 71023.50 84690.55 3215.83 o
-3 7 1 17645.94 16262.45 632.28 o
-1 7 1 7739.58 6930.48 619.34 o
1 7 1 75010.20 72456.77 1443.26 o
3 7 1 63986.21 62718.47 1228.81 o
5 7 1 11064.14 11534.84 497.60 o
7 7 1 2630.86 3080.68 278.84 o
9 7 1 23948.05 26246.79 637.71 o
11 7 1 28642.52 32079.97 707.53 o
13 7 1 2701.05 2679.47 204.51 o
15 7 1 1210.37 967.39 504.17 o
-16 8 1 65.53 142.76 120.23 o
-14 8 1 480.10 400.77 105.05 o
-12 8 1 855.00 879.80 186.96 o
-10 8 1 869.62 868.44 189.06 o
-8 8 1 279.51 501.99 282.88 o
-6 8 1 6664.21 6729.98 443.19 o
-4 8 1 24.66 317.24 383.18 o
-2 8 1 1383.38 1474.20 685.91 o
0 8 1 1086.28 1244.37 339.92 o
2 8 1 7230.30 6955.22 379.86 o
4 8 1 6.99 184.73 232.96 o
6 8 1 1516.40 1629.54 359.56 o
8 8 1 1832.36 1989.63 379.25 o
10 8 1 668.96 628.16 125.47 o
12 8 1 111.24 127.64 40.89 o
14 8 1 9.81 75.89 77.03 o
-15 9 1 3503.92 3218.76 472.45 o
-13 9 1 7350.74 7826.40 445.25 o
-11 9 1 7829.95 7259.95 741.81 o
-9 9 1 9143.19 9855.25 582.75 o
-7 9 1 24349.02 29402.94 1376.50 o
-5 9 1 33124.03 38721.52 1605.41 o
-3 9 1 27500.02 27597.36 895.48 o
-1 9 1 22082.94 21387.74 566.30 o
1 9 1 40133.87 39002.23 833.71 o
3 9 1 47511.85 48309.25 1314.64 o
5 9 1 8305.82 9113.66 603.74 o
7 9 1 1997.67 2000.27 448.81 o
9 9 1 15366.36 15960.57 854.38 o
11 9 1 14401.49 15068.63 569.62 o
13 9 1 2747.23 2545.96 317.87 o
-14 10 1 2149.71 1793.22 431.95 o
-12 10 1 364.04 292.80 156.54 o
-10 10 1 3410.28 3528.98 331.65 o
-8 10 1 144.51 154.63 219.25 o
-6 10 1 16921.06 18339.78 1040.51 o
-4 10 1 4857.94 4737.70 898.53 o
-2 10 1 3890.17 3990.31 790.92 o
0 10 1 191.18 359.76 194.49 o
2 10 1 11379.24 10825.90 805.80 o
4 10 1 447.19 488.01 206.78 o
6 10 1 1318.17 1745.56 434.09 o
8 10 1 168.57 248.70 179.67 o
10 10 1 1296.70 1471.18 359.38 o
12 10 1 41.42 97.47 61.50 o
14 10 1 536.70 190.44 139.63 o
-13 11 1 2299.24 1697.25 600.65 o
-11 11 1 6407.53 6511.35 583.17 o
-9 11 1 8496.89 9544.01 573.54 o
-7 11 1 8176.01 9179.38 1026.83 o
-5 11 1 17347.11 19877.95 699.93 o
-3 11 1 30579.59 31494.82 1242.51 o
-1 11 1 20480.44 20950.69 844.02 o
1 11 1 7679.38 7830.87 616.06 o
3 11 1 13110.49 12967.03 859.03 o
5 11 1 18018.15 19114.63 751.44 o
7 11 1 9295.19 10536.43 598.88 o
9 11 1 2994.11 2860.32 601.96 o
11 11 1 3825.48 3752.58 318.08 o
13 11 1 3215.93 2073.33 724.23 o
-12 12 1 261.64 229.38 107.17 o
-10 12 1 313.47 416.92 150.78 o
-8 12 1 56.79 81.68 108.99 o
-6 12 1 3401.59 3683.65 933.61 o
-4 12 1 1782.78 1881.53 487.67 o
-2 12 1 262.39 421.57 206.87 o
0 12 1 905.95 930.50 276.66 o
2 12 1 6088.00 5920.68 1303.13 o
4 12 1 299.45 365.27 170.77 o
6 12 1 1914.29 2026.16 518.58 o
8 12 1 39.98 86.43 128.38 o
10 12 1 1812.07 1426.24 460.40 o
-11 13 1 5753.11 6300.83 420.89 o
-9 13 1 11277.65 12885.96 830.61 o
-7 13 1 3243.97 3762.07 935.16 o
-5 13 1 2249.95 2375.62 537.89 o
-3 13 1 16434.81 17204.19 705.21 o
-1 13 1 19872.86 18716.02 695.57 o
1 13 1 3753.99 3612.97 864.35 o
3 13 1 2361.38 2856.93 810.90 o
5 13 1 13306.68 13269.28 660.19 o
7 13 1 10212.72 11566.44 1302.00 o
9 13 1 1583.15 1146.02 385.87 o
-10 14 1 599.00 603.41 214.53 o
-8 14 1 11.77 165.91 160.07 o
-6 14 1 167.71 244.87 326.04 o
-4 14 1 602.23 493.63 238.69 o
-2 14 1 935.78 896.35 247.19 o
0 14 1 91.52 228.61 190.46 o
2 14 1 32.59 181.56 192.65 o
4 14 1 953.38 863.56 326.90 o
6 14 1 3.22 106.50 185.01 o
8 14 1 184.01 266.39 157.11 o
-7 15 1 2259.83 1849.56 601.34 o
-5 15 1 1511.65 1215.07 481.85 o
-3 15 1 11472.17 11463.92 1117.19 o
-1 15 1 13034.68 11179.55 995.61 o
1 15 1 2622.54 2234.28 572.43 o
3 15 1 2580.46 1934.97 568.84 o
5 15 1 8601.48 9301.40 755.18 o
-2 16 1 2751.88 2194.53 793.26 o
0 16 1 100.80 103.38 148.09 o
-16 0 2 1493.45 904.75 411.27 o
-14 0 2 5160.90 5014.42 320.33 o
-12 0 2 99736.33 98006.65 1517.73 o
-10 0 2 42135.15 42434.23 782.31 o
-8 0 2 5428.17 6077.88 191.30 o
-6 0 2 113174.88 116343.48 849.59 o
-4 0 2 448527.13 443913.06 2417.22 o
-2 0 2 33282.18 33514.74 320.11 o
0 0 2 14758.54 14874.79 188.38 o
2 0 2 237774.80 249542.72 2334.78 o
4 0 2 81630.41 83288.15 1013.98 o
6 0 2 6112.06 6301.50 248.67 o
8 0 2 372.12 358.55 114.90 o
10 0 2 31306.85 30775.75 926.58 o
12 0 2 25370.38 24694.67 700.62 o
14 0 2 2094.57 1728.89 785.14 o
16 0 2 821.33 474.17 181.12 o
-15 1 2 20.04 56.18 37.49 o
-13 1 2 313.31 329.11 64.58 o
-11 1 2 2037.00 2013.65 96.25 o
-9 1 2 4850.47 4855.44 88.00 o
-7 1 2 2290.73 2296.78 58.91 o
-5 1 2 26117.98 27031.72 309.92 o
-3 1 2 17631.71 16881.25 442.40 o
-1 1 2 158.90 464.95 61.50 o
1 1 2 52154.80 52521.33 484.96 o
3 1 2 9286.18 8870.22 127.31 o
5 1 2 4986.67 4915.47 121.28 o
7 1 2 3813.26 3931.18 200.08 o
9 1 2 113.04 118.56 55.93 o
11 1 2 517.47 381.55 93.58 o
13 1 2 124.73 154.35 75.00 o
15 1 2 468.75 488.02 217.19 o
17 1 2 24.58 103.61 75.25 o
-16 2 2 1397.27 1163.76 180.53 o
-14 2 2 9522.29 9055.90 208.88 o
-12 2 2 56587.37 56941.75 467.51 o
-10 2 2 33997.66 34475.48 374.51 o
-8 2 2 2996.65 2952.96 105.25 o
-6 2 2 111296.77 109646.58 2129.37 o
-4 2 2 247376.03 236720.39 1676.32 o
-2 2 2 76406.60 73877.78 742.31 o
0 2 2 3700.08 3628.15 107.67 o
2 2 2 69585.54 67510.76 703.29 o
4 2 2 132972.19 138142.02 785.88 o
6 2 2 12026.76 11917.36 1232.22 o
8 2 2 8424.63 8524.82 176.97 o
10 2 2 23726.91 24741.50 672.23 o
12 2 2 14743.48 14582.42 414.01 o
14 2 2 3129.78 2873.23 684.30 o
16 2 2 1728.65 1240.21 706.35 o
-17 3 2 826.94 661.81 183.30 o
-15 3 2 5113.96 5015.19 334.69 o
-13 3 2 4507.08 4222.66 142.24 o
-11 3 2 8700.60 8786.17 175.55 o
-9 3 2 12054.65 11879.01 347.26 o
-7 3 2 18064.75 16874.03 730.29 o
-5 3 2 31962.51 29341.39 1182.79 o
-3 3 2 28698.31 25841.52 408.66 o
-1 3 2 43339.96 35096.64 763.84 o
1 3 2 11589.19 10662.43 338.66 o
3 3 2 19951.21 19324.24 689.30 o
5 3 2 5547.97 5670.71 173.03 o
7 3 2 12022.71 11741.32 247.73 o
9 3 2 706.93 751.65 115.52 o
11 3 2 9917.06 9911.73 212.48 o
13 3 2 706.51 581.80 180.90 o
15 3 2 1598.86 1318.40 434.68 o
-16 4 2 9589.27 9904.52 248.57 o
-14 4 2 11343.51 11539.88 239.10 o
-12 4 2 14193.42 15298.31 275.01 o
-10 4 2 26221.98 28787.97 555.16 o
-8 4 2 43597.51 43883.79 933.49 o
-6 4 2 49909.38 46517.03 2611.38 o
-4 4 2 57694.56 50331.77 918.21 o
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