#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/46/2204698.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_2204698_Fobs
loop_
_publ_author_name
'Wang, Xiu-Jian'
'Ni, Qing-Ling'
'Shen, Zhong-Shu'
_publ_section_title
;
 Dibromobis[pyridine-2(1<i>H</i>)-thione-\k<i>S</i>]cadmium(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1918
_journal_page_last               m1919
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.0500
_cell_length_b                   28.5210
_cell_length_c                   8.0650
_exptl_crystal_F_000             1872.00
_reflns_d_resolution_high        0.7826
_[local]_cod_data_source_file    hb6128Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1011M in Fdd2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            547.63
_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'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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
2 0 -10 1413.59 1549.98 290.44 o
2 2 -10 374.13 482.42 186.05 o
2 4 -10 3323.78 3172.58 346.01 o
2 6 -10 1279.26 1198.79 282.29 o
1 1 -9 985.85 1164.65 175.97 o
3 1 -9 5794.91 5406.80 407.13 o
5 1 -9 927.99 818.98 176.25 o
7 1 -9 995.44 1021.67 219.31 o
1 3 -9 702.55 729.48 229.31 o
3 3 -9 5591.90 5271.26 253.04 o
5 3 -9 712.05 577.65 164.66 o
7 3 -9 245.76 223.75 254.13 o
1 5 -9 1289.98 1100.18 172.60 o
3 5 -9 5324.66 5148.84 252.81 o
5 5 -9 3242.93 3167.01 233.41 o
7 5 -9 1115.54 1240.68 211.51 o
1 7 -9 3538.90 3362.99 311.18 o
3 7 -9 2724.46 2565.83 209.44 o
5 7 -9 892.33 785.24 179.99 o
7 7 -9 289.46 415.83 193.81 o
1 9 -9 1734.69 1665.57 276.36 o
3 9 -9 3988.23 3986.30 244.94 o
5 9 -9 2592.04 2865.43 233.20 o
7 9 -9 1020.28 1016.53 294.88 o
1 11 -9 5323.04 5430.73 274.91 o
3 11 -9 641.92 624.32 170.75 o
5 11 -9 1007.25 953.04 188.10 o
1 13 -9 1137.84 1208.48 203.93 o
3 13 -9 986.55 917.01 185.68 o
5 13 -9 2100.33 2379.67 247.91 o
1 15 -9 1782.90 2125.42 232.96 o
3 15 -9 105.38 300.31 179.69 o
1 17 -9 2618.51 2539.79 241.98 o
0 0 -8 702.52 483.07 191.90 o
4 0 -8 22828.56 22162.85 604.58 o
8 0 -8 2934.19 2569.48 304.51 o
2 2 -8 13649.34 12850.31 318.27 o
4 2 -8 1423.02 1270.23 166.26 o
6 2 -8 3246.00 3346.41 225.93 o
8 2 -8 21.81 53.22 169.10 o
10 2 -8 6144.70 6559.39 335.14 o
0 4 -8 3918.33 3713.20 199.40 o
2 4 -8 4676.42 4299.63 212.71 o
4 4 -8 11540.42 10607.22 426.02 o
6 4 -8 405.08 189.34 151.64 o
8 4 -8 3974.41 3523.02 243.87 o
10 4 -8 1095.60 894.35 215.28 o
2 6 -8 6278.55 5815.93 232.08 o
4 6 -8 626.79 564.78 155.86 o
6 6 -8 1351.35 1182.18 178.55 o
8 6 -8 3307.46 3201.59 238.11 o
10 6 -8 5936.63 6056.94 446.77 o
0 8 -8 4769.35 4729.49 217.39 o
2 8 -8 4619.67 4402.51 294.26 o
4 8 -8 5498.37 5216.38 242.32 o
6 8 -8 635.79 751.62 208.57 o
8 8 -8 4318.29 4520.41 263.64 o
2 10 -8 6413.97 5902.63 218.77 o
4 10 -8 6787.41 6858.85 336.00 o
6 10 -8 3117.65 3400.47 243.20 o
8 10 -8 3611.15 4016.40 374.90 o
0 12 -8 11710.53 12212.43 493.45 o
2 12 -8 3033.38 2909.53 172.81 o
4 12 -8 2866.03 2883.02 217.94 o
6 12 -8 402.42 505.31 187.50 o
8 12 -8 2388.01 2447.47 244.46 o
2 14 -8 4004.66 4003.92 189.77 o
4 14 -8 1136.00 1289.13 189.09 o
6 14 -8 5442.58 5726.70 288.12 o
8 14 -8 1174.81 1466.40 234.78 o
0 16 -8 9156.73 9531.07 460.85 o
2 16 -8 1374.98 1532.01 169.57 o
4 16 -8 1065.35 1062.31 195.15 o
6 16 -8 12.63 -63.81 181.88 o
2 18 -8 618.02 608.37 153.47 o
4 18 -8 120.17 178.35 217.46 o
6 18 -8 8985.32 9395.93 624.96 o
0 20 -8 10458.16 10749.87 535.68 o
2 20 -8 608.86 581.66 152.63 o
4 20 -8 504.22 614.27 191.88 o
2 22 -8 2640.46 2662.26 258.87 o
1 1 -7 11341.81 10779.90 182.81 o
3 1 -7 8691.33 8014.24 290.81 o
5 1 -7 7925.56 7002.58 397.50 o
7 1 -7 4164.47 4004.34 225.00 o
9 1 -7 3291.09 2908.40 263.02 o
11 1 -7 2173.69 2364.70 333.78 o
1 3 -7 17136.71 16727.78 224.54 o
3 3 -7 14317.32 13049.03 297.83 o
5 3 -7 4356.84 4234.51 214.50 o
7 3 -7 6230.43 5753.44 255.89 o
9 3 -7 3173.94 3129.51 228.39 o
11 3 -7 5072.66 4852.92 282.90 o
1 5 -7 474.87 402.80 90.64 o
3 5 -7 8181.70 7670.03 339.52 o
5 5 -7 15785.10 14753.06 345.82 o
7 5 -7 10080.61 9495.62 408.98 o
9 5 -7 1969.92 1991.06 200.38 o
11 5 -7 47.28 65.01 176.25 o
1 7 -7 14076.67 13357.80 241.79 o
3 7 -7 4146.13 4384.13 177.29 o
5 7 -7 218.20 251.38 142.74 o
7 7 -7 1938.63 1888.04 192.20 o
9 7 -7 5286.63 5504.63 275.14 o
11 7 -7 7428.90 7291.09 338.44 o
1 9 -7 2655.78 2481.41 121.90 o
3 9 -7 4985.59 5140.54 217.97 o
5 9 -7 18674.24 18670.08 1123.96 o
7 9 -7 9661.91 9543.56 755.73 o
9 9 -7 1313.68 980.71 217.46 o
11 9 -7 549.27 424.47 213.81 o
1 11 -7 17119.69 16370.94 278.05 o
3 11 -7 5037.64 5090.31 188.42 o
5 11 -7 576.95 569.21 169.21 o
7 11 -7 425.69 253.72 160.63 o
9 11 -7 6320.99 6451.50 310.15 o
11 11 -7 3446.23 3827.00 286.65 o
1 13 -7 1027.97 1086.73 130.13 o
3 13 -7 6428.87 6838.04 274.83 o
5 13 -7 11369.99 11119.71 472.70 o
7 13 -7 3979.03 4114.12 253.01 o
9 13 -7 4.05 92.10 178.42 o
1 15 -7 16905.17 16556.35 309.74 o
3 15 -7 4371.11 4381.61 195.35 o
5 15 -7 191.43 200.13 162.44 o
7 15 -7 128.38 196.95 172.55 o
9 15 -7 3062.42 3263.67 255.91 o
1 17 -7 3548.78 3598.49 184.83 o
3 17 -7 9697.88 10711.38 282.46 o
5 17 -7 2744.02 3022.89 228.68 o
7 17 -7 3548.74 3679.03 254.43 o
9 17 -7 3320.68 3748.40 291.82 o
1 19 -7 1012.32 1187.21 146.10 o
3 19 -7 4362.14 4715.20 216.73 o
5 19 -7 1173.55 1247.41 204.89 o
7 19 -7 4093.02 4494.34 284.76 o
1 21 -7 2246.90 2616.91 187.61 o
3 21 -7 4136.01 4489.39 226.21 o
5 21 -7 821.68 994.47 215.78 o
7 21 -7 2678.78 3074.19 269.44 o
1 23 -7 824.80 835.18 166.39 o
3 23 -7 4121.12 4253.06 229.82 o
5 23 -7 4542.43 5617.35 310.90 o
1 25 -7 3348.57 3492.07 270.32 o
3 25 -7 1015.26 1120.44 183.46 o
2 0 -6 9642.61 10094.21 471.59 o
10 0 -6 3363.68 3701.59 342.30 o
0 2 -6 120328.85 116114.38 813.49 o
2 2 -6 19.37 66.48 76.40 o
4 2 -6 2358.48 2266.24 173.00 o
6 2 -6 10138.09 9631.96 274.43 o
8 2 -6 3650.50 3568.66 201.60 o
10 2 -6 480.18 493.60 163.61 o
12 2 -6 14829.77 14834.13 416.23 o
2 4 -6 8378.64 8101.06 151.48 o
4 4 -6 14341.20 14186.29 346.11 o
6 4 -6 52739.97 50674.32 1044.68 o
8 4 -6 5232.23 5584.88 393.05 o
10 4 -6 622.43 430.54 161.72 o
12 4 -6 35.57 126.05 177.85 o
0 6 -6 41273.11 39737.76 452.80 o
2 6 -6 17272.81 16875.06 297.62 o
4 6 -6 7507.16 7597.32 269.45 o
6 6 -6 2553.82 2199.47 180.66 o
8 6 -6 10962.42 10217.29 358.23 o
10 6 -6 283.54 148.17 163.81 o
12 6 -6 4444.80 4353.53 278.19 o
2 8 -6 5242.00 5334.47 140.85 o
4 8 -6 7899.90 8099.81 385.38 o
6 8 -6 33372.46 33069.01 1024.31 o
8 8 -6 9755.27 9431.98 304.65 o
10 8 -6 3013.81 2968.29 228.41 o
12 8 -6 2440.26 2516.63 253.76 o
0 10 -6 6123.98 5766.15 199.80 o
2 10 -6 25204.74 23659.57 651.81 o
4 10 -6 17796.59 18664.69 416.43 o
6 10 -6 100.51 192.10 140.88 o
8 10 -6 5962.21 6176.11 367.12 o
10 10 -6 6641.17 7229.06 449.73 o
12 10 -6 2895.22 2965.97 269.61 o
2 12 -6 19928.86 20404.57 476.50 o
4 12 -6 3486.88 3569.09 163.49 o
6 12 -6 1629.76 1704.58 181.77 o
8 12 -6 5548.73 5720.17 275.04 o
10 12 -6 7712.31 8024.04 354.16 o
12 12 -6 3596.57 3502.43 275.94 o
0 14 -6 3317.76 3139.73 183.52 o
2 14 -6 8259.04 8031.24 234.24 o
4 14 -6 17351.85 17295.17 310.34 o
6 14 -6 1653.46 1635.84 179.95 o
8 14 -6 5183.10 4976.75 257.41 o
10 14 -6 1895.32 2012.52 234.65 o
2 16 -6 27644.03 27363.83 384.55 o
4 16 -6 5648.35 5696.75 207.88 o
6 16 -6 652.21 633.20 170.85 o
8 16 -6 1855.49 1789.26 209.31 o
10 16 -6 9627.04 10682.38 386.90 o
0 18 -6 5691.69 6177.45 239.99 o
2 18 -6 48.02 -24.45 119.47 o
4 18 -6 21578.64 22240.23 373.00 o
6 18 -6 294.34 301.88 168.82 o
8 18 -6 3101.47 3212.79 252.39 o
10 18 -6 74.89 146.12 205.10 o
2 20 -6 9239.34 9204.55 284.53 o
4 20 -6 381.68 223.63 133.27 o
6 20 -6 264.66 378.40 181.52 o
8 20 -6 55.73 -130.49 180.09 o
10 20 -6 9836.45 10791.95 410.91 o
0 22 -6 7022.50 7797.79 302.90 o
2 22 -6 1259.85 1341.52 160.05 o
4 22 -6 14846.48 15216.96 334.70 o
6 22 -6 280.29 268.92 177.85 o
8 22 -6 7538.64 8050.06 355.73 o
2 24 -6 7096.56 7788.93 399.68 o
4 24 -6 2150.75 2323.57 199.41 o
6 24 -6 700.63 824.84 193.04 o
0 26 -6 2421.46 1864.87 317.85 o
2 26 -6 1655.33 1839.76 182.80 o
4 26 -6 5898.96 6210.74 261.28 o
6 26 -6 711.49 808.94 226.03 o
2 28 -6 4883.31 5255.68 248.91 o
4 28 -6 1882.97 2511.89 266.45 o
1 1 -5 28543.55 24733.24 593.57 o
3 1 -5 7321.55 7180.16 182.12 o
5 1 -5 15223.79 15063.31 591.62 o
7 1 -5 42102.88 39292.68 500.23 o
9 1 -5 4272.70 4466.83 216.85 o
11 1 -5 1209.90 1247.83 213.38 o
13 1 -5 8200.64 8164.05 326.87 o
1 3 -5 76590.82 73511.13 1572.46 o
3 3 -5 17382.22 17318.54 362.07 o
5 3 -5 22536.66 21216.58 483.01 o
7 3 -5 18916.95 18621.96 358.26 o
9 3 -5 2640.11 2738.71 191.96 o
11 3 -5 8286.52 7947.18 282.72 o
13 3 -5 6431.49 6301.44 293.04 o
1 5 -5 17614.67 16355.09 332.91 o
3 5 -5 17699.41 17748.70 360.82 o
5 5 -5 27911.52 27742.76 611.89 o
7 5 -5 31976.36 30017.51 451.05 o
9 5 -5 901.92 971.25 162.13 o
11 5 -5 3325.76 3128.16 223.97 o
13 5 -5 5618.63 5300.05 279.86 o
1 7 -5 40458.85 42101.91 606.89 o
3 7 -5 4655.66 4808.13 126.83 o
5 7 -5 6115.11 5871.57 268.97 o
7 7 -5 6848.94 6533.11 235.78 o
9 7 -5 13430.10 13361.75 344.70 o
11 7 -5 10913.57 11193.54 351.54 o
13 7 -5 4862.81 4391.15 267.42 o
1 9 -5 24207.39 22855.33 366.49 o
3 9 -5 5348.67 5227.31 126.03 o
5 9 -5 58010.77 56527.86 1002.25 o
7 9 -5 20671.73 20741.57 841.30 o
9 9 -5 1403.03 1348.71 182.55 o
11 9 -5 2832.22 2947.71 224.99 o
13 9 -5 110.94 152.40 186.14 o
1 11 -5 38851.74 37369.45 538.73 o
3 11 -5 21283.16 20476.31 467.55 o
5 11 -5 7683.68 7642.86 200.59 o
7 11 -5 1487.59 1631.39 170.79 o
9 11 -5 11911.58 12587.57 624.22 o
11 11 -5 5637.63 6132.94 284.72 o
13 11 -5 3181.28 3324.01 536.79 o
1 13 -5 606.46 595.88 84.95 o
3 13 -5 12925.02 12794.92 194.99 o
5 13 -5 29037.07 28575.33 370.49 o
7 13 -5 6761.23 7003.05 268.23 o
9 13 -5 4628.00 4871.42 257.53 o
11 13 -5 4738.05 4512.03 292.29 o
13 13 -5 781.68 979.78 215.33 o
1 15 -5 28337.86 27984.08 399.75 o
3 15 -5 16353.18 16533.49 302.27 o
5 15 -5 6533.30 6475.18 204.09 o
7 15 -5 1531.18 1500.11 176.25 o
9 15 -5 8971.90 9507.36 465.29 o
11 15 -5 9935.06 9669.51 352.03 o
1 17 -5 2213.05 2316.49 122.08 o
3 17 -5 42135.82 41764.72 1047.71 o
5 17 -5 4441.21 4469.50 188.75 o
7 17 -5 2622.73 2743.47 215.20 o
9 17 -5 10700.68 10955.53 363.04 o
11 17 -5 665.89 735.14 212.83 o
1 19 -5 2724.71 2653.74 132.13 o
3 19 -5 24673.06 24896.27 459.59 o
5 19 -5 3853.74 4173.61 192.49 o
7 19 -5 1570.98 1746.57 265.25 o
9 19 -5 2721.01 2290.15 323.04 o
11 19 -5 4732.44 4989.49 346.38 o
1 21 -5 3381.14 3726.36 155.74 o
3 21 -5 16108.13 17053.47 705.54 o
5 21 -5 2395.70 2267.31 206.01 o
7 21 -5 2327.33 2495.38 222.92 o
9 21 -5 7946.01 8312.98 340.66 o
1 23 -5 1093.87 1422.42 130.50 o
3 23 -5 10126.14 11072.26 411.81 o
5 23 -5 6008.07 6235.72 422.69 o
7 23 -5 3259.36 3617.11 266.12 o
9 23 -5 7078.62 7180.09 326.51 o
1 25 -5 6709.62 7324.28 209.41 o
3 25 -5 5022.41 5188.43 228.36 o
5 25 -5 800.12 887.17 196.46 o
7 25 -5 401.86 576.45 207.46 o
9 25 -5 2727.25 3122.31 317.11 o
1 27 -5 0.20 170.62 124.19 o
3 27 -5 6362.84 6718.68 256.77 o
5 27 -5 4599.27 5175.49 292.07 o
7 27 -5 3225.70 3404.70 277.39 o
1 29 -5 5673.75 5964.38 253.93 o
3 29 -5 2250.70 2329.36 449.36 o
5 29 -5 1418.75 1685.95 236.39 o
1 31 -5 1249.70 1512.04 187.89 o
3 31 -5 663.41 769.46 237.09 o
0 0 -4 55138.68 53233.67 594.95 o
4 0 -4 150850.27 147646.17 814.13 o
8 0 -4 45416.59 44426.31 769.44 o
12 0 -4 2427.23 2353.87 280.81 o
2 2 -4 68982.32 67566.86 1002.89 o
4 2 -4 27882.53 28497.73 436.96 o
6 2 -4 68231.28 64286.70 708.52 o
8 2 -4 2150.21 2096.80 107.46 o
10 2 -4 30702.95 31798.13 500.05 o
12 2 -4 4100.84 3749.02 225.16 o
14 2 -4 2737.72 2441.27 218.31 o
0 4 -4 86445.32 84205.95 907.24 o
2 4 -4 43988.13 40901.07 874.99 o
4 4 -4 49525.63 49326.41 1178.61 o
6 4 -4 3229.97 3336.49 210.46 o
8 4 -4 25559.00 24780.91 399.49 o
10 4 -4 3854.04 3867.06 441.95 o
12 4 -4 8432.37 8644.06 305.35 o
14 4 -4 2475.34 2563.09 494.19 o
2 6 -4 71445.01 67379.27 735.75 o
4 6 -4 19171.00 19548.43 465.71 o
6 6 -4 10821.30 10782.90 233.99 o
8 6 -4 15993.81 16842.06 517.54 o
10 6 -4 15688.24 16160.81 673.49 o
12 6 -4 3328.16 3367.75 228.16 o
14 6 -4 9078.68 9202.85 500.86 o
0 8 -4 95827.18 94768.98 4643.28 o
2 8 -4 67274.28 66051.57 1311.74 o
4 8 -4 29282.38 29295.26 675.83 o
6 8 -4 6193.05 6286.90 230.89 o
8 8 -4 12073.82 11579.50 220.01 o
10 8 -4 2262.93 2232.31 145.76 o
12 8 -4 7413.26 7451.81 299.78 o
14 8 -4 3507.10 3451.16 359.34 o
2 10 -4 39067.90 37736.78 444.13 o
4 10 -4 41426.47 39612.23 1329.28 o
6 10 -4 20515.63 20346.77 290.18 o
8 10 -4 35787.54 33581.33 434.84 o
10 10 -4 8003.36 8021.77 216.54 o
12 10 -4 2905.68 3225.77 249.63 o
14 10 -4 2897.07 2955.49 334.89 o
0 12 -4 29479.58 29180.83 383.40 o
2 12 -4 22757.44 22354.91 233.44 o
4 12 -4 30994.65 30767.05 810.04 o
6 12 -4 5436.53 5371.96 180.80 o
8 12 -4 18281.29 18346.06 343.58 o
10 12 -4 3933.80 3768.28 179.90 o
12 12 -4 6290.43 6723.29 298.10 o
14 12 -4 3445.35 3597.12 407.50 o
2 14 -4 16191.30 16477.86 259.33 o
4 14 -4 17698.37 17635.50 314.18 o
6 14 -4 40329.12 42513.94 801.10 o
8 14 -4 12325.17 11569.39 483.37 o
10 14 -4 9080.54 8845.80 265.25 o
12 14 -4 1238.21 1290.12 206.08 o
0 16 -4 62323.54 64291.78 1471.82 o
2 16 -4 9762.81 10127.32 201.90 o
4 16 -4 21359.48 21483.16 642.72 o
6 16 -4 735.88 768.71 144.00 o
8 16 -4 11342.98 11546.84 340.08 o
10 16 -4 1660.50 1743.66 171.04 o
12 16 -4 9058.90 9681.94 642.00 o
2 18 -4 7705.43 8131.63 175.78 o
4 18 -4 665.82 836.11 116.16 o
6 18 -4 32093.23 33731.42 442.29 o
8 18 -4 894.24 1033.72 178.91 o
10 18 -4 13838.94 13049.23 294.33 o
12 18 -4 1341.05 1420.72 231.03 o
0 20 -4 63915.23 65178.15 1029.86 o
2 20 -4 1749.69 2028.85 127.58 o
4 20 -4 17843.52 17727.44 274.76 o
6 20 -4 405.38 587.37 139.35 o
8 20 -4 1577.23 1632.82 196.82 o
10 20 -4 1842.17 1605.40 169.63 o
12 20 -4 6465.03 6703.02 474.18 o
2 22 -4 27133.87 28090.50 338.70 o
4 22 -4 1213.08 1287.87 155.62 o
6 22 -4 23318.04 23633.46 393.77 o
8 22 -4 1527.87 1810.57 212.38 o
10 22 -4 2112.20 2117.79 184.24 o
0 24 -4 20316.37 21427.54 1008.01 o
2 24 -4 10479.34 10859.63 229.12 o
4 24 -4 7781.76 8431.28 259.63 o
6 24 -4 1118.79 1120.24 165.08 o
8 24 -4 2792.98 2750.04 240.43 o
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