#------------------------------------------------------------------------------
#$Date: 2016-05-14 04:13:36 +0300 (Sat, 14 May 2016) $
#$Revision: 182941 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/75/2107503.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_2107503
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   12.5705
_cell_length_b                   12.5705
_cell_length_c                   38.2126
_exptl_crystal_F_000             2880.00
_reflns_d_resolution_high        0.8393
_cod_data_source_file            xk5028CCDC1422436sup8.hkl
_cod_data_source_block           CCDC1422436
_shelx_title                     ' 13gyte343_Trimer_AgCF3SO3_0ma in R-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            744.94
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 2 0 179684.59 187354.34 4301.04 o
0 3 0 156017.22 158247.52 2252.78 o
-2 4 0 28841.36 30625.10 645.29 o
-4 5 0 178735.58 183257.59 2688.39 o
-1 5 0 4287.67 3682.97 87.30 o
-3 6 0 7670.13 7961.73 174.23 o
0 6 0 90146.15 91728.25 1460.17 o
-5 7 0 121771.22 119653.87 1826.13 o
-2 7 0 1482.36 1366.38 41.02 o
-7 8 0 99266.40 96305.84 1485.63 o
-4 8 0 45150.16 44915.25 911.75 o
-1 8 0 20933.51 20915.51 377.05 o
-6 9 0 34901.82 32527.15 540.24 o
-3 9 0 3846.37 3889.17 106.56 o
0 9 0 7347.42 7506.47 153.25 o
-8 10 0 19801.18 19553.12 341.97 o
-5 10 0 204.51 218.26 18.52 o
-2 10 0 76.14 72.23 24.96 o
-10 11 0 4352.25 4342.45 107.19 o
-7 11 0 1946.71 1995.05 65.95 o
-4 11 0 9088.45 8834.96 236.24 o
-1 11 0 1066.87 1054.96 56.09 o
-9 12 0 10424.11 10253.28 220.06 o
-6 12 0 4550.09 5004.69 119.85 o
-3 12 0 5473.54 5916.81 158.74 o
0 12 0 1191.83 1211.45 65.07 o
-11 13 0 3515.06 3788.77 114.63 o
-8 13 0 54.90 -13.74 38.94 o
-5 13 0 6244.32 6657.77 222.41 o
-2 13 0 2901.22 2938.54 114.27 o
-10 14 0 461.24 491.60 50.38 o
-7 14 0 756.82 826.99 55.24 o
-4 14 0 4813.00 5296.94 183.90 o
-1 1 1 14237.22 14076.25 221.70 o
-3 2 1 77404.71 77936.45 1295.27 o
0 2 1 4666.04 5037.73 80.19 o
-5 3 1 8385.46 9658.73 219.02 o
-2 3 1 121438.22 112744.29 4470.41 o
1 3 1 34649.25 34830.17 505.42 o
-7 4 1 17148.52 18640.13 466.36 o
-4 4 1 2143.39 1828.23 41.09 o
-1 4 1 43672.08 42959.39 718.48 o
2 4 1 6412.94 6192.99 115.16 o
-9 5 1 434.30 472.86 26.42 o
-6 5 1 473.79 786.94 27.47 o
-3 5 1 70.80 141.88 15.29 o
0 5 1 54.72 29.91 11.79 o
3 5 1 13377.51 13405.60 223.49 o
-11 6 1 8365.51 8346.73 233.06 o
-8 6 1 9804.98 10185.37 179.19 o
-5 6 1 494.61 546.37 22.50 o
-2 6 1 39414.34 39204.43 832.47 o
1 6 1 14.95 19.53 15.06 o
4 6 1 362.01 348.23 30.25 o
-13 7 1 485.81 437.31 47.54 o
-10 7 1 15074.81 14571.00 310.57 o
-7 7 1 2162.86 2202.00 50.26 o
-4 7 1 0.23 1.51 19.97 o
-1 7 1 5005.90 5100.46 102.51 o
2 7 1 4079.61 3565.02 80.57 o
5 7 1 90.58 97.60 32.51 o
-12 8 1 283.14 283.41 60.86 o
-9 8 1 434.08 555.83 33.37 o
-6 8 1 6760.60 6716.08 130.09 o
-3 8 1 1046.39 1141.89 61.00 o
0 8 1 2609.43 2368.94 56.08 o
3 8 1 2747.39 2518.73 73.62 o
6 8 1 0.04 -23.14 40.14 o
-14 9 1 3.35 -0.05 35.17 o
-11 9 1 1300.73 1359.65 57.54 o
-8 9 1 18832.31 18210.24 310.20 o
-5 9 1 3.08 -17.98 17.98 o
-2 9 1 4606.08 4632.54 115.76 o
1 9 1 173.50 141.11 26.51 o
4 9 1 638.99 633.38 46.94 o
-13 10 1 141.64 146.80 34.39 o
-10 10 1 2127.21 2191.41 74.58 o
-7 10 1 3092.88 2955.50 75.21 o
-4 10 1 2040.55 2322.42 65.46 o
-1 10 1 17.92 49.20 26.13 o
2 10 1 1716.24 1550.43 66.71 o
-12 11 1 442.79 425.39 44.56 o
-9 11 1 1610.66 1549.74 67.23 o
-6 11 1 2466.66 2536.80 69.24 o
-3 11 1 64.70 49.53 26.39 o
0 11 1 8993.56 8976.14 197.20 o
3 11 1 272.45 355.39 47.15 o
-11 12 1 21.02 73.77 33.80 o
-8 12 1 1371.65 1524.87 61.27 o
-5 12 1 53.77 -2.81 28.67 o
-2 12 1 81.77 46.17 30.41 o
1 12 1 2517.72 2366.52 89.48 o
-10 13 1 2576.55 2527.39 85.78 o
-7 13 1 310.16 304.60 36.25 o
-4 13 1 3357.67 3353.51 110.94 o
-1 13 1 416.25 558.20 56.29 o
-9 14 1 2060.84 2022.98 83.15 o
-6 14 1 34.65 49.39 32.49 o
-3 14 1 521.65 551.11 55.03 o
0 1 2 13529.66 14655.21 197.90 o
-2 2 2 32871.98 33538.09 492.94 o
1 2 2 162697.28 161931.03 2181.97 o
-4 3 2 182408.42 173202.38 2824.78 o
-1 3 2 159490.81 160922.80 2362.23 o
2 3 2 58831.62 55461.77 819.14 o
-6 4 2 16316.00 13964.15 257.10 o
-3 4 2 36799.31 37565.85 579.38 o
0 4 2 18657.36 18710.99 298.34 o
3 4 2 19870.54 18544.38 312.22 o
-8 5 2 1557.33 1442.08 46.99 o
-5 5 2 72916.09 70785.44 1097.53 o
-2 5 2 3648.29 4001.93 96.41 o
1 5 2 51371.01 52235.27 811.73 o
4 5 2 7039.69 7267.24 146.16 o
-10 6 2 7804.81 7405.10 167.68 o
-7 6 2 58638.79 55685.70 906.87 o
-4 6 2 14594.24 14465.05 234.22 o
-1 6 2 29988.21 29362.34 446.49 o
2 6 2 40951.18 41420.05 626.59 o
5 6 2 21871.33 22066.44 481.37 o
-12 7 2 18712.54 18764.18 427.59 o
-9 7 2 779.32 833.40 39.92 o
-6 7 2 27867.24 27597.71 439.30 o
-3 7 2 34209.67 33970.70 725.14 o
0 7 2 4858.49 4530.34 88.46 o
3 7 2 5894.56 6655.97 131.39 o
6 7 2 7074.37 6995.21 194.86 o
-14 8 2 1693.18 1837.98 78.53 o
-11 8 2 10380.95 10638.22 290.75 o
-8 8 2 8593.87 8763.78 166.99 o
-5 8 2 95.94 151.37 18.53 o
-2 8 2 22960.21 21974.54 402.46 o
1 8 2 1408.41 1474.37 45.51 o
4 8 2 16246.13 16863.05 330.69 o
-13 9 2 3211.82 2937.02 132.64 o
-10 9 2 16323.67 16073.71 313.42 o
-7 9 2 10059.98 9886.70 185.35 o
-4 9 2 36071.57 36478.90 824.13 o
-1 9 2 12512.47 12102.51 224.72 o
2 9 2 6959.61 7044.87 148.81 o
5 9 2 8086.52 8360.54 216.54 o
-12 10 2 6356.89 6641.32 161.96 o
-9 10 2 7371.81 7416.05 159.14 o
-6 10 2 5604.04 5644.23 132.81 o
-3 10 2 23954.40 23019.96 544.46 o
0 10 2 2062.62 2030.66 70.61 o
3 10 2 9114.20 9529.34 205.70 o
-14 11 2 1313.54 1432.26 71.12 o
-11 11 2 13725.09 14260.46 349.95 o
-8 11 2 2185.81 2138.04 74.84 o
-5 11 2 13941.57 13978.86 404.07 o
-2 11 2 7348.47 7268.45 167.48 o
1 11 2 1809.83 1751.27 73.19 o
-13 12 2 2784.39 2923.84 102.05 o
-10 12 2 11426.89 11912.32 231.78 o
-7 12 2 10497.03 10682.94 211.47 o
-4 12 2 18078.47 18806.45 584.48 o
-1 12 2 2751.82 2792.19 95.76 o
-12 13 2 12293.25 11996.22 269.62 o
-9 13 2 2559.16 2631.15 86.25 o
-6 13 2 11758.08 11828.00 257.93 o
-3 13 2 6489.48 6352.06 169.26 o
-11 14 2 1541.93 1622.85 74.06 o
-8 14 2 536.00 480.44 43.24 o
-5 14 2 1449.98 1359.66 75.29 o
0 0 3 71931.70 72814.36 3298.05 o
1 1 3 8185.48 8960.40 135.00 o
-1 2 3 520.32 774.57 20.97 o
2 2 3 4393.35 4337.86 89.04 o
-3 3 3 46772.35 47427.88 724.70 o
0 3 3 12492.76 13306.46 216.04 o
3 3 3 27774.50 28499.95 461.82 o
-5 4 3 44026.22 42525.68 760.34 o
-2 4 3 33872.96 35805.92 522.08 o
1 4 3 3824.32 4041.37 74.63 o
4 4 3 16866.40 17562.08 296.79 o
-7 5 3 1274.37 1526.65 43.32 o
-4 5 3 10804.69 11391.25 186.09 o
-1 5 3 12010.79 13310.03 219.58 o
2 5 3 4756.06 4591.13 90.96 o
5 5 3 1407.16 1627.04 57.26 o
-9 6 3 297.70 524.06 34.58 o
-6 6 3 1419.23 1660.37 37.47 o
-3 6 3 22406.29 24247.21 380.14 o
0 6 3 2646.05 2841.20 62.13 o
3 6 3 9580.57 9140.64 165.86 o
6 6 3 1225.69 1170.35 59.36 o
-11 7 3 646.87 489.91 31.82 o
-8 7 3 16.87 29.56 17.67 o
-5 7 3 2374.26 2311.75 52.76 o
-2 7 3 13681.71 15497.26 264.48 o
1 7 3 13128.00 13002.21 214.02 o
4 7 3 557.41 497.35 48.14 o
7 7 3 68.10 -1.84 29.16 o
-13 8 3 284.46 472.41 39.16 o
-10 8 3 3797.45 4022.64 111.31 o
-7 8 3 23947.90 23828.69 400.88 o
-4 8 3 76.32 75.93 15.06 o
-1 8 3 221.01 291.50 24.43 o
2 8 3 27358.46 27095.09 460.83 o
5 8 3 3854.24 4338.65 123.43 o
-12 9 3 2004.32 1748.55 68.27 o
-9 9 3 2449.53 2397.04 78.10 o
-6 9 3 7706.05 8267.62 173.36 o
-3 9 3 280.35 278.81 25.48 o
0 9 3 3005.37 2937.95 66.82 o
3 9 3 143.95 237.83 34.51 o
-14 10 3 1373.37 1471.84 75.20 o
-11 10 3 1428.86 1466.66 65.00 o
-8 10 3 9027.41 8612.26 177.65 o
-5 10 3 4065.33 3841.96 116.40 o
-2 10 3 12668.62 12362.49 238.36 o
1 10 3 117.16 99.32 28.74 o
4 10 3 836.12 865.67 58.96 o
-13 11 3 321.03 337.82 44.04 o
-10 11 3 882.15 886.02 50.22 o
-7 11 3 12.84 13.84 32.83 o
-4 11 3 41.72 47.26 25.96 o
-1 11 3 245.19 335.24 34.49 o
2 11 3 701.23 668.08 47.58 o
-12 12 3 5379.03 5892.83 154.13 o
-9 12 3 2389.24 2170.14 80.92 o
-6 12 3 1325.99 1305.22 52.64 o
-3 12 3 352.57 452.53 42.16 o
0 12 3 798.57 1030.04 59.31 o
-11 13 3 22.78 12.71 36.27 o
-8 13 3 0.02 -5.34 32.73 o
-5 13 3 342.36 244.91 39.68 o
-2 13 3 771.53 800.43 57.12 o
-10 14 3 1729.20 1919.84 80.09 o
-7 14 3 278.89 256.47 40.24 o
-4 14 3 1324.51 1378.12 74.44 o
-1 1 4 3595.35 3770.57 49.58 o
-3 2 4 156658.55 161747.28 2492.57 o
0 2 4 10199.53 9837.71 143.09 o
-5 3 4 86151.68 89539.78 1399.42 o
-2 3 4 8759.85 7485.62 127.91 o
1 3 4 57606.75 56709.78 822.75 o
-7 4 4 1934.98 1700.20 42.78 o
-4 4 4 49563.61 49540.61 722.23 o
-1 4 4 66796.05 63841.51 938.32 o
2 4 4 35781.91 34993.16 548.88 o
-9 5 4 1768.40 1561.87 50.25 o
-6 5 4 54096.84 52028.02 954.10 o
-3 5 4 35792.15 32917.45 576.61 o
0 5 4 36866.70 35193.75 553.09 o
3 5 4 19268.57 19757.41 337.33 o
-11 6 4 63945.98 64081.11 1257.67 o
-8 6 4 19437.77 19086.72 323.26 o
-5 6 4 28481.64 26445.60 417.50 o
-2 6 4 89614.76 89164.16 1658.47 o
1 6 4 7229.40 6889.57 118.90 o
4 6 4 479.13 445.11 35.30 o
-13 7 4 3021.94 3044.84 99.80 o
-10 7 4 20802.80 20640.93 491.49 o
-7 7 4 6473.03 6529.34 131.30 o
-4 7 4 64311.06 63944.48 1124.44 o
-1 7 4 39683.91 39717.30 601.52 o
2 7 4 211.10 301.79 23.50 o
5 7 4 3723.03 3724.47 102.75 o
-12 8 4 15203.13 15714.82 334.11 o
-9 8 4 17848.62 17933.19 344.66 o
-6 8 4 3883.80 3620.12 80.64 o
-3 8 4 24221.86 23407.91 405.95 o
0 8 4 5325.52 5028.05 95.67 o
3 8 4 13628.14 13451.51 239.28 o
6 8 4 1960.85 1925.58 102.85 o
-14 9 4 737.02 639.37 47.71 o
-11 9 4 15228.41 14960.21 308.99 o
-8 9 4 2588.64 2400.07 70.11 o
-5 9 4 22111.24 20982.93 428.36 o
-2 9 4 11624.15 11284.96 206.75 o
1 9 4 152.17 185.23 25.14 o
4 9 4 1148.81 1568.63 70.24 o
-13 10 4 232.05 164.07 34.95 o
-10 10 4 11804.44 11118.06 262.09 o
-7 10 4 12.49 40.57 28.41 o
-4 10 4 9765.48 9379.51 183.47 o
-1 10 4 2735.49 3090.44 80.46 o
2 10 4 11103.84 11467.86 224.21 o
-12 11 4 5382.11 5679.43 148.21 o
-9 11 4 4501.39 4528.80 113.53 o
-6 11 4 5046.27 4772.32 112.43 o
-3 11 4 10334.83 9697.73 205.66 o
0 11 4 15153.93 15826.87 310.27 o
3 11 4 2844.56 2679.06 95.48 o
-11 12 4 3318.86 3409.64 104.14 o
-8 12 4 13989.28 14272.81 272.90 o
-5 12 4 21204.75 21192.31 907.62 o
-2 12 4 5238.44 5375.23 137.50 o
1 12 4 8138.17 7986.92 248.87 o
-10 13 4 17256.46 17427.05 335.72 o
-7 13 4 4064.89 4226.17 111.96 o
-4 13 4 2762.94 2809.08 100.64 o
-1 13 4 10697.57 11339.17 253.54 o
-9 14 4 12724.53 14241.36 300.23 o
-6 14 4 1160.67 1222.24 72.83 o
-3 14 4 2890.22 2902.08 137.32 o
0 1 5 4478.82 5517.39 87.56 o
-2 2 5 52148.96 53898.48 766.64 o
1 2 5 16031.61 16411.26 222.23 o
-4 3 5 2009.95 2777.70 64.50 o
-1 3 5 3440.83 2951.49 70.52 o
2 3 5 70674.38 67928.70 1005.50 o
-6 4 5 1454.40 1798.27 42.05 o
-3 4 5 2443.45 2713.45 81.03 o
0 4 5 21637.38 21139.60 336.70 o
3 4 5 448.94 616.09 33.79 o
-8 5 5 10165.81 10324.04 182.95 o
-5 5 5 2356.54 2296.18 51.31 o
-2 5 5 434.99 245.70 22.44 o
1 5 5 6976.63 6988.35 120.30 o
4 5 5 2818.15 2843.37 77.31 o
-10 6 5 1252.47 1696.06 53.17 o
-7 6 5 813.89 1020.78 32.59 o
-4 6 5 864.60 732.27 37.00 o
-1 6 5 1867.05 2607.31 58.44 o
2 6 5 2851.26 2813.63 69.71 o
5 6 5 8474.37 8610.76 216.46 o
-12 7 5 6712.81 6945.51 157.34 o
-9 7 5 3017.22 3238.78 87.92 o
-6 7 5 160.29 282.59 20.05 o
-3 7 5 356.53 582.04 27.68 o
0 7 5 25781.41 26530.93 430.57 o
3 7 5 2.34 53.14 28.83 o
6 7 5 3353.93 3074.35 115.47 o
-14 8 5 34.83 36.84 33.81 o
-11 8 5 6333.80 6769.19 164.44 o
-8 8 5 1778.53 1781.45 64.72 o
-5 8 5 994.99 1284.98 46.80 o
-2 8 5 4496.13 4565.68 112.52 o
1 8 5 1673.35 1605.63 47.27 o
4 8 5 24.47 27.13 29.62 o
-13 9 5 613.82 510.46 39.24 o
-10 9 5 64.05 108.51 33.05 o
-7 9 5 681.65 640.60 35.27 o
-4 9 5 13437.01 13155.88 241.89 o
-1 9 5 0.19 -4.19 23.04 o
2 9 5 2951.23 3035.55 83.40 o
5 9 5 955.35 1097.46 72.64 o
-12 10 5 258.02 312.16 42.38 o
-9 10 5 376.59 279.97 37.85 o
-6 10 5 513.47 508.35 29.63 o
-3 10 5 826.39 828.18 39.35 o
0 10 5 998.58 1079.70 44.71 o
3 10 5 293.60 261.07 40.08 o
-14 11 5 270.65 218.82 44.68 o
-11 11 5 417.48 389.49 44.97 o
-8 11 5 4354.03 4377.35 104.44 o
-5 11 5 543.89 591.47 38.73 o
-2 11 5 4089.80 4045.02 104.34 o
1 11 5 677.42 753.57 44.52 o
-13 12 5 1173.29 1162.10 66.36 o
-10 12 5 84.10 84.25 36.33 o
-7 12 5 0.07 -22.29 22.29 o
-4 12 5 166.70 155.99 33.95 o
-1 12 5 782.23 791.39 54.73 o
-12 13 5 2611.02 2768.38 101.21 o
-9 13 5 140.08 151.31 33.34 o
-6 13 5 91.42 23.52 33.40 o
-3 13 5 542.05 535.35 49.22 o
-11 14 5 634.87 865.02 62.43 o
-8 14 5 0.21 -30.77 30.77 o
-5 14 5 307.19 289.85 48.51 o
0 0 6 196903.89 215424.27 5531.12 o
1 1 6 554934.88 553627.56 14331.47 o
-1 2 6 102822.55 105850.34 1462.95 o
2 2 6 132836.58 137750.38 1964.80 o
-3 3 6 10882.13 10861.56 165.77 o
0 3 6 168.17 236.76 15.82 o
3 3 6 7057.84 7167.21 129.94 o
-5 4 6 46845.96 49979.01 764.69 o
-2 4 6 16558.13 15239.67 327.19 o
1 4 6 27826.92 27805.98 411.55 o
4 4 6 74.05 69.50 21.54 o
-7 5 6 6007.59 6074.81 121.80 o
-4 5 6 19324.87 17572.91 259.11 o
-1 5 6 269.79 816.83 27.15 o
2 5 6 50170.41 47820.68 747.30 o
5 5 6 18431.26 18078.96 410.31 o
-9 6 6 49.84 49.61 22.57 o
-6 6 6 1910.43 1636.17 43.81 o
-3 6 6 8433.79 6791.70 140.93 o
0 6 6 48984.11 48943.06 767.45 o
3 6 6 64167.66 66505.84 1074.36 o
6 6 6 678.01 509.58 52.58 o
-11 7 6 791.03 766.67 52.97 o
-8 7 6 22574.56 22455.27 385.96 o
-5 7 6 98404.52 96081.83 1456.22 o
-2 7 6 39702.77 39957.68 618.92 o
1 7 6 32796.48 33358.60 518.89 o
4 7 6 21169.63 21673.05 473.25 o
7 7 6 925.39 793.62 82.42 o
-13 8 6 6261.72 5829.44 152.63 o
-10 8 6 28744.54 28178.90 540.88 o
-7 8 6 49985.47 46868.29 796.58 o
-4 8 6 35235.70 35418.92 695.63 o
-1 8 6 20815.77 20277.47 336.62 o
2 8 6 30352.52 30467.19 476.02 o
5 8 6 3421.09 3218.59 128.20 o
-12 9 6 88.60 485.77 77.69 o
-9 9 6 31609.21 31737.56 588.98 o
-6 9 6 25919.63 25477.14 524.19 o
-3 9 6 13977.52 14395.03 295.55 o
0 9 6 2113.14 2191.03 55.94 o
3 9 6 3009.06 2765.98 82.50 o
-14 10 6 6343.53 7022.00 157.45 o
-11 10 6 1203.31 1151.52 93.40 o
-8 10 6 30724.48 30499.79 511.10 o
-5 10 6 307.23 284.91 26.44 o
-2 10 6 1019.15 1057.90 54.51 o
1 10 6 8517.58 8626.89 175.82 o
4 10 6 1455.79 1581.58 74.44 o
-13 11 6 363.08 290.69 46.72 o
-10 11 6 1562.57 1448.60 65.90 o
-7 11 6 674.83 595.10 41.65 o
-4 11 6 1440.11 1493.34 61.14 o
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