#------------------------------------------------------------------------------
#$Date: 2016-04-03 06:51:20 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181302 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/80/2238043.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_2238043_Fobs
loop_
_publ_author_name
'G\'amez-Heredia, Raquel'
'Navarro, Rosa E.'
'H\"opfl, Herbert'
'Cruz-Enr\'iquez, Adriana'
'Campos-Gaxiola, Jos\'e J.'
_publ_section_title
;
 Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium}
 tetracyanidoplatinate(II) tetrahydrate
;
_journal_coeditor_code           SU2593
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m300
_journal_page_last               m301
_journal_volume                  69
_journal_year                    2013
_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                 95.483
_cell_angle_gamma                90.000
_cell_length_a                   20.9576
_cell_length_b                   12.0484
_cell_length_c                   15.4032
_exptl_crystal_F_000             1936.00
_reflns_d_resolution_high        0.8409
_cod_data_source_file            su2593Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' e19juarm in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            644.80
_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
2 0 0 8666.03 8887.00 393.71 o
4 0 0 100163.80 93694.88 3767.64 o
6 0 0 15015.77 12302.32 717.47 o
8 0 0 19015.02 17458.80 1123.94 o
10 0 0 46573.46 41221.69 1305.70 o
12 0 0 30380.57 30978.87 638.02 o
14 0 0 63758.09 67870.17 1415.26 o
16 0 0 18197.07 18715.14 899.24 o
18 0 0 29293.50 34319.98 2033.04 o
20 0 0 6789.87 8450.80 864.50 o
22 0 0 11056.08 14735.17 1905.81 o
24 0 0 13555.84 18531.43 2915.85 o
1 1 0 34914.20 28558.77 953.71 o
3 1 0 1009.89 758.58 36.70 o
5 1 0 4969.14 5330.70 303.06 o
7 1 0 2465.69 2466.06 126.18 o
9 1 0 2081.98 2010.47 94.40 o
11 1 0 8289.61 9020.49 228.02 o
13 1 0 8890.15 9348.43 209.93 o
15 1 0 34.35 63.85 89.94 o
17 1 0 613.82 631.67 133.74 o
19 1 0 773.22 1009.60 185.04 o
21 1 0 151.95 220.66 204.77 o
23 1 0 114.25 392.04 268.95 o
0 2 0 48242.96 50701.17 1652.10 o
2 2 0 110973.83 110145.55 5666.75 o
4 2 0 138456.19 133677.56 2506.85 o
6 2 0 65199.59 64431.33 1199.81 o
8 2 0 55694.47 56969.18 1285.82 o
10 2 0 84477.89 80059.68 1429.22 o
12 2 0 9143.37 7982.09 291.31 o
14 2 0 40126.15 41159.32 585.85 o
16 2 0 21546.33 22282.52 651.08 o
18 2 0 9633.46 11107.11 656.71 o
20 2 0 24153.59 29558.03 1653.60 o
22 2 0 9891.89 12282.16 830.12 o
24 2 0 17629.69 21204.55 2665.97 o
1 3 0 27435.61 29322.61 613.31 o
3 3 0 239.00 316.94 38.05 o
5 3 0 11919.47 12557.73 351.75 o
7 3 0 19013.80 18195.34 355.43 o
9 3 0 12967.51 13154.13 358.22 o
11 3 0 2979.34 3245.09 154.92 o
13 3 0 1206.33 1301.69 101.01 o
15 3 0 686.80 781.21 134.79 o
17 3 0 32.66 49.32 133.01 o
19 3 0 7.05 107.11 172.95 o
21 3 0 225.52 243.26 241.79 o
23 3 0 7.72 -9.40 281.25 o
0 4 0 32136.47 30362.12 1175.24 o
2 4 0 37320.36 36340.31 1032.06 o
4 4 0 89692.89 87112.23 2747.95 o
6 4 0 72460.84 68207.39 1315.63 o
8 4 0 54632.33 50724.59 1212.53 o
10 4 0 40546.05 37222.25 817.48 o
12 4 0 42349.71 41134.68 839.55 o
14 4 0 16229.41 15725.83 622.14 o
16 4 0 35007.73 36558.85 1953.57 o
18 4 0 13943.74 15888.94 1120.84 o
20 4 0 16758.95 20797.67 1603.33 o
22 4 0 9813.57 12094.27 1435.79 o
1 5 0 383.53 529.88 48.83 o
3 5 0 81.53 68.71 39.31 o
5 5 0 164.93 143.21 43.31 o
7 5 0 3214.52 2966.15 200.94 o
9 5 0 1101.13 1083.77 79.59 o
11 5 0 2450.02 2454.92 156.46 o
13 5 0 776.64 984.26 129.66 o
15 5 0 3827.13 4114.33 270.79 o
17 5 0 3164.37 3314.01 254.43 o
19 5 0 2.88 -6.77 197.74 o
21 5 0 219.77 197.57 266.13 o
23 5 0 36.81 30.02 309.13 o
0 6 0 147220.61 160766.67 3757.64 o
2 6 0 37287.94 36245.68 650.87 o
4 6 0 30739.38 30740.48 657.21 o
6 6 0 41711.57 36682.49 1333.83 o
8 6 0 67463.46 64310.52 1519.03 o
10 6 0 40856.58 37791.63 1561.73 o
12 6 0 25481.96 26555.26 1026.62 o
14 6 0 46313.52 47721.35 1163.32 o
16 6 0 10723.68 10922.71 558.11 o
18 6 0 23629.07 24625.28 1610.97 o
20 6 0 3516.77 4631.65 583.92 o
22 6 0 8420.26 10431.87 1218.78 o
1 7 0 927.98 1093.85 72.20 o
3 7 0 621.88 686.12 79.83 o
5 7 0 49.20 54.41 56.96 o
7 7 0 4222.14 4165.32 219.22 o
9 7 0 52.98 45.04 82.67 o
11 7 0 992.28 1006.49 122.93 o
13 7 0 453.32 411.06 140.40 o
15 7 0 440.32 517.65 174.89 o
17 7 0 341.14 408.39 209.77 o
19 7 0 638.55 436.84 239.47 o
21 7 0 146.42 182.47 294.12 o
0 8 0 22395.54 22879.95 767.72 o
2 8 0 51167.03 48876.71 932.17 o
4 8 0 42745.42 40987.30 755.04 o
6 8 0 31178.64 30578.10 557.41 o
8 8 0 37603.87 36097.24 753.68 o
10 8 0 35512.10 36803.71 1198.74 o
12 8 0 22452.22 23453.85 1287.98 o
14 8 0 16839.14 18121.89 1840.13 o
16 8 0 18822.52 19838.39 1858.69 o
18 8 0 6181.59 7079.99 874.60 o
20 8 0 12779.15 13786.05 1400.28 o
1 9 0 1243.25 1191.25 94.75 o
3 9 0 2381.87 2409.11 160.12 o
5 9 0 1239.80 1437.01 127.36 o
7 9 0 1396.24 1411.11 136.36 o
9 9 0 8519.00 7848.35 289.26 o
11 9 0 3373.64 2903.97 359.71 o
13 9 0 168.80 168.96 161.90 o
15 9 0 1321.05 1271.42 286.47 o
17 9 0 101.12 51.13 237.75 o
19 9 0 8.73 -41.36 270.33 o
0 10 0 32977.01 32837.73 1112.07 o
2 10 0 48796.84 48479.50 831.88 o
4 10 0 12490.74 12902.23 349.15 o
6 10 0 34501.91 34343.00 872.54 o
8 10 0 6151.19 6623.93 302.65 o
10 10 0 15954.49 16556.78 793.07 o
12 10 0 24752.15 24880.75 1142.28 o
14 10 0 15361.16 15738.52 1236.24 o
16 10 0 13920.51 13718.88 1668.47 o
1 11 0 1031.37 1275.81 199.06 o
3 11 0 3445.87 3077.13 201.53 o
5 11 0 253.67 283.00 135.80 o
7 11 0 126.45 53.31 140.65 o
9 11 0 82.43 91.63 168.46 o
11 11 0 0.07 -50.78 186.88 o
13 11 0 1.58 38.61 214.46 o
15 11 0 137.39 141.26 230.36 o
0 12 0 16571.56 18430.28 825.78 o
2 12 0 10399.85 10512.54 432.03 o
4 12 0 31578.48 30623.66 1309.83 o
6 12 0 14577.46 14784.70 588.55 o
8 12 0 20648.76 22377.73 758.92 o
10 12 0 15765.89 16726.15 846.03 o
12 12 0 6851.75 7684.81 720.66 o
1 13 0 1.01 -102.36 224.06 o
3 13 0 2159.93 2560.42 301.41 o
5 13 0 20.82 131.58 235.40 o
7 13 0 89.49 38.39 242.62 o
9 13 0 166.85 221.85 241.63 o
0 14 0 5387.93 5927.75 912.41 o
2 14 0 17304.50 16925.11 900.88 o
4 14 0 16711.32 16984.76 825.26 o
-23 1 1 8396.83 10368.36 1493.47 o
-21 1 1 30275.14 37033.93 2432.51 o
-19 1 1 21576.64 25908.43 1459.26 o
-17 1 1 34103.13 36809.68 1033.31 o
-15 1 1 24161.80 25811.99 568.59 o
-13 1 1 49442.75 50102.76 1158.76 o
-11 1 1 52866.43 52540.07 1130.55 o
-9 1 1 18997.21 16514.51 295.75 o
-7 1 1 71902.99 67540.79 1290.40 o
-5 1 1 141758.64 147363.02 3229.22 o
-3 1 1 68504.48 73018.55 1132.03 o
-1 1 1 86549.16 98823.70 1635.02 o
1 1 1 24634.76 25660.09 843.21 o
3 1 1 147653.20 133267.38 3921.92 o
5 1 1 39972.25 38503.98 1182.03 o
7 1 1 25769.83 21319.26 719.49 o
9 1 1 19525.73 18113.08 395.05 o
11 1 1 42108.61 36388.50 621.55 o
13 1 1 42571.95 41883.34 625.40 o
15 1 1 22994.57 22087.63 525.62 o
17 1 1 23879.61 25965.49 759.62 o
19 1 1 27209.21 31825.43 1658.32 o
21 1 1 22468.63 27812.72 1587.51 o
23 1 1 12697.56 16321.81 1762.74 o
-24 2 1 46.66 38.28 303.15 o
-22 2 1 445.30 510.54 251.71 o
-20 2 1 406.60 573.38 200.69 o
-18 2 1 17.89 61.57 142.35 o
-16 2 1 130.99 194.70 110.79 o
-14 2 1 2785.02 3137.49 145.68 o
-12 2 1 498.80 503.90 77.50 o
-10 2 1 786.31 870.39 70.73 o
-8 2 1 11664.74 12010.33 285.58 o
-6 2 1 5790.96 6025.81 176.46 o
-4 2 1 14840.91 14973.73 574.13 o
-2 2 1 18329.40 18341.50 1015.78 o
0 2 1 790.41 916.98 37.64 o
2 2 1 5832.66 5778.83 446.73 o
4 2 1 31321.09 28971.40 766.92 o
6 2 1 1405.27 1489.84 90.30 o
8 2 1 4790.55 4361.18 298.36 o
10 2 1 1027.39 1326.78 81.63 o
12 2 1 54.67 86.62 71.87 o
14 2 1 797.59 941.29 116.55 o
16 2 1 327.79 370.28 129.95 o
18 2 1 44.28 88.79 148.92 o
20 2 1 1898.99 2490.59 240.89 o
22 2 1 242.05 334.02 234.70 o
24 2 1 76.37 49.26 325.80 o
-23 3 1 2368.34 3354.58 381.54 o
-21 3 1 15001.52 18884.30 1499.20 o
-19 3 1 20311.60 22215.84 1260.20 o
-17 3 1 37000.19 39524.52 1931.47 o
-15 3 1 21743.66 23569.42 1474.55 o
-13 3 1 21507.28 21451.43 750.86 o
-11 3 1 50016.91 51540.98 1011.52 o
-9 3 1 57894.57 55631.79 944.26 o
-7 3 1 75157.58 74020.55 1553.52 o
-5 3 1 86908.89 83127.53 2099.15 o
-3 3 1 123133.36 119982.55 3701.67 o
-1 3 1 80267.80 84516.57 1309.21 o
1 3 1 31979.29 32497.48 815.06 o
3 3 1 56451.23 49654.13 2875.26 o
5 3 1 70744.59 65674.85 1218.60 o
7 3 1 78257.41 68665.06 1771.57 o
9 3 1 56662.96 55046.10 1244.25 o
11 3 1 23840.47 21784.76 452.61 o
13 3 1 37849.14 35154.58 693.14 o
15 3 1 33626.12 33669.70 620.32 o
17 3 1 24127.38 25220.63 923.15 o
19 3 1 20913.40 23043.75 1162.82 o
21 3 1 16053.52 19863.15 1140.50 o
23 3 1 7987.76 10372.19 1017.09 o
-22 4 1 3.52 -7.42 264.88 o
-20 4 1 1568.39 2122.56 280.30 o
-18 4 1 999.70 1312.61 202.20 o
-16 4 1 790.84 845.35 161.41 o
-14 4 1 1014.20 1218.53 117.69 o
-12 4 1 49.95 199.06 81.57 o
-10 4 1 778.71 861.27 70.44 o
-8 4 1 3660.01 3688.71 145.11 o
-6 4 1 732.57 828.47 68.09 o
-4 4 1 25105.86 24429.88 627.89 o
-2 4 1 11139.59 10854.38 378.02 o
0 4 1 5222.53 5609.02 145.67 o
2 4 1 5777.46 5912.21 175.80 o
4 4 1 27411.86 28194.64 1873.63 o
6 4 1 50.72 40.57 40.74 o
8 4 1 8202.95 7258.44 278.01 o
10 4 1 1273.14 1533.76 106.50 o
12 4 1 2338.17 2618.69 179.52 o
14 4 1 558.42 647.37 127.20 o
16 4 1 1115.28 1251.23 165.85 o
18 4 1 1448.14 1727.64 235.73 o
20 4 1 5.35 -37.41 223.16 o
22 4 1 9.88 78.70 269.47 o
-23 5 1 9748.46 11823.93 1084.53 o
-21 5 1 14639.04 17469.69 1905.98 o
-19 5 1 6502.69 8054.67 661.26 o
-17 5 1 8006.12 8901.59 621.39 o
-15 5 1 42865.79 41421.86 1651.63 o
-13 5 1 31130.60 29172.73 1579.02 o
-11 5 1 61187.54 62349.86 945.23 o
-9 5 1 58301.28 57809.08 1023.80 o
-7 5 1 42177.46 38327.95 765.58 o
-5 5 1 72759.30 67552.54 1318.44 o
-3 5 1 25541.61 24065.23 782.75 o
-1 5 1 43611.41 43369.41 891.78 o
1 5 1 9972.41 9701.25 289.71 o
3 5 1 57575.80 55719.09 1138.99 o
5 5 1 79152.84 70481.29 2282.36 o
7 5 1 77779.09 72888.23 2495.08 o
9 5 1 50523.36 47063.04 1488.07 o
11 5 1 55140.11 52689.35 1446.68 o
13 5 1 18808.73 17196.80 860.33 o
15 5 1 7031.69 7615.62 319.19 o
17 5 1 33763.94 35458.35 1054.17 o
19 5 1 22439.39 25645.19 2128.02 o
21 5 1 12956.06 14972.15 1524.90 o
23 5 1 7462.93 9447.37 824.54 o
-22 6 1 0.82 -67.04 296.10 o
-20 6 1 713.70 889.88 258.94 o
-18 6 1 1403.70 1663.77 240.71 o
-16 6 1 192.05 125.63 159.29 o
-14 6 1 72.56 143.51 136.74 o
-12 6 1 349.05 380.77 105.45 o
-10 6 1 1.81 37.99 79.93 o
-8 6 1 4831.63 5225.05 225.87 o
-6 6 1 1228.62 1180.30 114.26 o
-4 6 1 5537.67 5777.03 203.27 o
-2 6 1 1511.19 1509.82 80.03 o
0 6 1 6024.93 5717.90 195.33 o
2 6 1 1762.73 2119.29 87.18 o
4 6 1 884.26 886.35 68.54 o
6 6 1 14.88 42.21 49.35 o
8 6 1 219.75 132.72 58.59 o
10 6 1 280.41 274.85 71.29 o
12 6 1 43.40 -2.66 109.88 o
14 6 1 2867.40 2918.42 242.01 o
16 6 1 2345.02 2495.40 236.50 o
18 6 1 6.90 -34.01 199.47 o
20 6 1 174.60 133.74 254.40 o
22 6 1 87.90 44.53 301.02 o
-21 7 1 10754.93 12558.48 1313.77 o
-19 7 1 24385.26 24632.09 803.93 o
-17 7 1 16682.72 17496.99 1354.97 o
-15 7 1 21527.15 22755.69 1348.05 o
-13 7 1 37246.36 35121.25 907.12 o
-11 7 1 38994.03 37957.17 774.87 o
-9 7 1 25424.54 24356.12 648.39 o
-7 7 1 37159.69 36615.14 682.94 o
-5 7 1 56740.98 57032.76 824.27 o
-3 7 1 17698.33 16824.54 296.82 o
-1 7 1 46832.27 46718.48 683.71 o
1 7 1 21977.47 21286.62 351.54 o
3 7 1 53624.84 55764.63 791.76 o
5 7 1 30875.56 29048.79 742.52 o
7 7 1 14756.74 14169.82 372.76 o
9 7 1 34016.96 33731.78 650.20 o
11 7 1 23441.36 22578.49 588.74 o
13 7 1 51269.26 50994.29 1242.74 o
15 7 1 20918.56 19819.43 1335.39 o
17 7 1 16216.00 18557.24 1193.92 o
19 7 1 8225.01 9150.31 811.51 o
21 7 1 9120.94 10483.25 793.03 o
-20 8 1 22.80 1.39 273.37 o
-18 8 1 296.06 227.62 239.55 o
-16 8 1 3461.16 3548.00 415.31 o
-14 8 1 1226.07 1381.27 197.85 o
-12 8 1 2762.39 2769.76 419.21 o
-10 8 1 1220.91 1201.60 129.22 o
-8 8 1 1416.71 1475.56 124.99 o
-6 8 1 3.40 64.83 83.03 o
-4 8 1 2930.74 2885.87 148.09 o
-2 8 1 1504.39 1580.04 89.72 o
0 8 1 6464.22 6373.50 163.56 o
2 8 1 544.60 622.37 71.98 o
4 8 1 583.14 642.70 79.08 o
6 8 1 32.49 17.41 67.43 o
8 8 1 142.96 199.62 96.43 o
10 8 1 3449.91 3184.17 332.23 o
12 8 1 255.44 396.21 147.16 o
14 8 1 35.98 34.32 162.71 o
16 8 1 112.20 104.41 201.71 o
18 8 1 57.57 120.99 232.59 o
20 8 1 648.67 617.00 305.09 o
-19 9 1 15739.61 16439.79 1766.87 o
-17 9 1 21852.62 20355.84 715.03 o
-15 9 1 21047.15 20878.68 854.87 o
-13 9 1 11464.61 12567.17 1102.49 o
-11 9 1 31699.43 30116.45 683.81 o
-9 9 1 18622.28 19637.65 760.07 o
-7 9 1 26519.61 26892.80 646.09 o
-5 9 1 27964.94 28009.96 993.08 o
-3 9 1 33839.30 32936.37 761.16 o
-1 9 1 31485.04 32020.32 516.64 o
1 9 1 31551.78 29811.22 526.70 o
3 9 1 34155.23 33956.63 767.74 o
5 9 1 20302.60 20070.60 694.10 o
7 9 1 33316.04 33811.68 764.63 o
9 9 1 34961.38 35266.58 1347.68 o
11 9 1 9123.94 9921.65 666.14 o
13 9 1 30921.45 32269.42 1617.58 o
15 9 1 14529.07 16013.62 1209.12 o
17 9 1 10012.59 10110.93 857.47 o
19 9 1 9236.71 9564.76 1064.89 o
-16 10 1 36.26 -17.92 238.33 o
-14 10 1 922.90 902.78 226.52 o
-12 10 1 0.54 49.29 171.94 o
-10 10 1 1580.66 1485.79 171.82 o
-8 10 1 606.95 598.07 135.76 o
-6 10 1 355.85 357.69 121.80 o
-4 10 1 1586.81 1676.11 143.09 o
-2 10 1 1052.04 1145.45 129.86 o
0 10 1 4216.39 4170.53 199.13 o
2 10 1 71.51 73.72 104.42 o
4 10 1 9131.62 8454.75 403.07 o
6 10 1 227.09 207.48 118.53 o
8 10 1 45.48 78.99 130.68 o
10 10 1 1644.14 2029.39 204.77 o
12 10 1 1560.75 1411.96 212.35 o
14 10 1 161.31 117.78 194.75 o
16 10 1 14.64 19.16 245.52 o
-15 11 1 13421.86 14640.40 1152.88 o
-13 11 1 10775.51 11678.05 777.11 o
-11 11 1 16119.61 17785.07 1004.27 o
-9 11 1 10630.52 10813.77 369.98 o
-7 11 1 40993.42 42517.05 1478.86 o
-5 11 1 9173.84 10366.41 560.45 o
-3 11 1 25911.54 25556.29 710.48 o
-1 11 1 40830.45 39614.73 1397.25 o
1 11 1 17621.10 17923.64 545.33 o
3 11 1 32757.03 33778.38 1508.97 o
5 11 1 18338.61 18143.43 631.65 o
7 11 1 25278.07 25412.31 706.18 o
9 11 1 18243.12 19014.04 689.30 o
11 11 1 24299.64 27047.86 774.95 o
13 11 1 9210.29 10588.15 644.83 o
15 11 1 7618.51 7795.60 1454.84 o
-12 12 1 395.92 327.70 241.50 o
-10 12 1 417.52 359.92 217.27 o
-8 12 1 557.61 609.85 183.16 o
-6 12 1 1352.52 1627.23 194.50 o
-4 12 1 49.15 84.06 198.43 o
-2 12 1 0.51 100.78 194.37 o
0 12 1 43.44 23.69 191.06 o
2 12 1 33.19 64.72 196.72 o
4 12 1 682.36 675.97 213.25 o
6 12 1 582.91 616.80 211.50 o
8 12 1 48.36 7.45 191.45 o
10 12 1 649.09 773.22 233.62 o
12 12 1 42.42 -43.78 227.66 o
-9 13 1 14079.57 15152.03 802.17 o
-7 13 1 14626.62 13840.42 659.87 o
-5 13 1 11921.83 12145.70 749.37 o
-3 13 1 21541.61 20298.72 1321.75 o
-1 13 1 14127.82 13761.85 630.91 o
1 13 1 27748.01 26829.60 1189.51 o
3 13 1 16406.43 17208.68 919.62 o
5 13 1 11778.95 11671.04 869.06 o
7 13 1 13112.78 12668.30 1122.26 o
9 13 1 9567.92 9786.68 943.54 o
-4 14 1 164.59 104.92 284.57 o
-2 14 1 372.87 143.37 276.40 o
0 14 1 8.06 -26.04 278.45 o
2 14 1 124.07 17.53 274.18 o
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