#------------------------------------------------------------------------------
#$Date: 2013-10-24 17:51:33 +0300 (Thu, 24 Oct 2013) $
#$Revision: 89414 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/84/2238459.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_2238459_Fobs
loop_
_publ_author_name
'Reiss, Guido J.'
_publ_section_title
;
 (Dimethylphosphoryl)methanaminium iodide--(dimethylphosphoryl)methanamine
 (1/1)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1253
_journal_page_last               o1254
_journal_volume                  69
_journal_year                    2013
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   17.7791
_cell_length_b                   11.1766
_cell_length_c                   6.9181
_exptl_crystal_F_000             680.00
_reflns_d_resolution_high        0.7697
_[local]_cod_data_source_file    zl2559Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' EXP_284_100 IN PCA2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            272.00
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -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
0 0 -8 5410.69 5265.42 213.27 o
2 0 -8 3131.90 3119.68 74.26 o
4 0 -8 1601.09 1668.69 60.46 o
6 0 -8 6180.21 6143.34 122.45 o
8 0 -8 3843.73 4049.67 90.73 o
10 0 -8 792.67 841.12 70.32 o
0 1 -8 250.09 256.31 49.44 o
1 1 -8 1167.27 1148.59 70.37 o
2 1 -8 185.29 204.70 20.37 o
3 1 -8 5480.35 5634.92 89.91 o
4 1 -8 114.82 106.43 14.11 o
5 1 -8 2493.96 2508.96 62.11 o
6 1 -8 358.01 340.59 22.43 o
7 1 -8 156.00 149.75 16.24 o
8 1 -8 195.10 198.44 18.14 o
9 1 -8 2755.33 2802.64 90.62 o
10 1 -8 65.48 16.74 17.38 o
0 2 -8 6035.67 5985.44 222.54 o
1 2 -8 370.20 365.64 42.19 o
2 2 -8 1050.33 1073.82 44.30 o
3 2 -8 226.41 216.20 19.67 o
4 2 -8 1269.81 1314.08 45.05 o
5 2 -8 7.20 4.18 9.19 o
6 2 -8 2823.95 2807.44 67.15 o
7 2 -8 129.53 79.62 14.01 o
8 2 -8 2497.50 2569.42 80.91 o
9 2 -8 190.52 183.23 25.57 o
10 2 -8 930.91 1018.07 56.90 o
0 3 -8 481.23 451.01 64.10 o
1 3 -8 754.28 728.25 56.55 o
2 3 -8 97.57 66.99 13.86 o
3 3 -8 3197.32 3177.01 77.76 o
4 3 -8 64.25 51.90 13.67 o
5 3 -8 2749.98 2901.93 68.70 o
6 3 -8 158.84 150.24 17.46 o
7 3 -8 235.86 229.71 22.83 o
8 3 -8 140.28 136.61 23.58 o
9 3 -8 2804.51 3018.62 97.26 o
0 4 -8 5408.83 5309.84 214.16 o
1 4 -8 36.01 24.96 17.67 o
2 4 -8 1297.18 1320.83 60.56 o
3 4 -8 195.39 182.61 20.62 o
4 4 -8 793.83 802.06 41.91 o
5 4 -8 923.48 871.86 39.09 o
6 4 -8 3741.48 3655.35 87.66 o
7 4 -8 53.46 67.24 15.01 o
8 4 -8 3253.37 3311.27 102.26 o
0 5 -8 1579.30 1376.34 111.52 o
1 5 -8 1330.03 1306.97 76.52 o
2 5 -8 123.27 152.66 26.56 o
3 5 -8 4102.30 4265.18 93.33 o
4 5 -8 284.92 284.67 25.67 o
5 5 -8 2072.82 2213.04 69.30 o
6 5 -8 282.77 320.26 27.82 o
0 6 -8 3914.46 3733.79 185.60 o
1 6 -8 109.60 139.64 30.54 o
2 6 -8 943.69 920.53 66.31 o
3 6 -8 1057.50 1039.92 68.66 o
4 6 -8 530.16 487.77 38.11 o
2 0 -7 6409.64 6351.30 120.20 o
4 0 -7 3192.33 3251.42 82.90 o
6 0 -7 1210.14 1278.92 79.88 o
8 0 -7 1035.01 1097.86 44.29 o
10 0 -7 7784.56 8058.38 146.94 o
12 0 -7 2139.13 2135.91 79.59 o
14 0 -7 809.46 854.63 64.31 o
1 1 -7 5429.35 5508.35 63.35 o
2 1 -7 1022.48 1072.77 28.04 o
3 1 -7 514.45 458.82 23.90 o
4 1 -7 362.53 318.34 19.16 o
5 1 -7 4570.52 4638.40 70.72 o
6 1 -7 150.71 173.05 16.17 o
7 1 -7 5741.45 5905.04 81.70 o
8 1 -7 775.37 768.09 30.58 o
9 1 -7 436.78 439.09 22.32 o
10 1 -7 252.35 261.98 20.50 o
11 1 -7 494.65 526.85 28.35 o
12 1 -7 301.46 309.52 22.77 o
13 1 -7 2593.27 2612.39 63.52 o
14 1 -7 95.31 101.37 18.42 o
1 2 -7 1.45 -1.03 5.95 o
2 2 -7 4447.79 4503.87 56.80 o
3 2 -7 746.08 767.33 30.23 o
4 2 -7 7136.77 7046.80 84.29 o
5 2 -7 458.25 456.64 22.65 o
6 2 -7 1965.62 1954.72 47.89 o
7 2 -7 298.34 332.92 20.52 o
8 2 -7 2709.63 2793.28 57.14 o
9 2 -7 20.51 17.26 8.42 o
10 2 -7 5006.00 5156.87 91.06 o
11 2 -7 6.47 15.77 12.29 o
12 2 -7 2104.09 2211.29 57.36 o
13 2 -7 7.35 32.86 11.95 o
14 2 -7 142.56 128.49 20.15 o
1 3 -7 5980.00 5926.13 74.17 o
2 3 -7 135.96 143.37 12.72 o
3 3 -7 271.42 245.87 21.45 o
4 3 -7 622.68 652.32 34.05 o
5 3 -7 2458.77 2494.23 59.25 o
6 3 -7 318.26 298.25 22.13 o
7 3 -7 5702.51 5763.15 91.89 o
8 3 -7 710.71 708.53 33.48 o
9 3 -7 1754.28 1724.69 60.73 o
10 3 -7 516.29 503.20 34.59 o
11 3 -7 491.07 553.30 37.03 o
12 3 -7 166.05 172.52 22.44 o
13 3 -7 4178.14 4150.50 141.90 o
1 4 -7 825.16 877.21 29.79 o
2 4 -7 4818.64 4953.69 82.37 o
3 4 -7 154.68 156.17 18.22 o
4 4 -7 4089.66 4052.14 84.56 o
5 4 -7 127.93 110.43 16.78 o
6 4 -7 763.62 770.29 34.91 o
7 4 -7 158.42 168.08 18.11 o
8 4 -7 963.68 928.63 38.83 o
9 4 -7 509.56 502.28 35.27 o
10 4 -7 3752.62 3950.74 114.23 o
11 4 -7 35.84 32.78 14.06 o
12 4 -7 2591.83 2611.46 81.30 o
1 5 -7 2044.20 2110.12 47.26 o
2 5 -7 1453.06 1465.29 44.56 o
3 5 -7 827.91 833.53 39.49 o
4 5 -7 628.21 602.74 34.45 o
5 5 -7 1771.47 1714.92 57.68 o
6 5 -7 342.85 359.04 25.67 o
7 5 -7 4740.62 4885.16 89.05 o
8 5 -7 289.54 333.77 24.93 o
9 5 -7 512.02 515.94 35.95 o
10 5 -7 431.79 472.35 35.35 o
11 5 -7 954.43 979.78 58.06 o
1 6 -7 164.10 147.41 19.12 o
2 6 -7 2925.60 3045.44 74.85 o
3 6 -7 873.89 972.62 51.56 o
4 6 -7 4012.75 4118.00 125.99 o
5 6 -7 131.21 142.84 23.03 o
6 6 -7 512.92 494.61 38.29 o
7 6 -7 2769.18 2805.51 69.51 o
8 6 -7 1117.48 1267.46 55.28 o
9 6 -7 85.73 76.40 27.01 o
10 6 -7 3122.22 3205.62 126.50 o
1 7 -7 4159.25 4214.14 117.18 o
2 7 -7 1988.95 2085.24 76.57 o
3 7 -7 86.76 83.90 22.82 o
4 7 -7 1003.38 1041.34 55.42 o
5 7 -7 1464.11 1499.55 66.36 o
6 7 -7 283.44 312.22 32.12 o
7 7 -7 2153.75 2091.91 99.08 o
8 7 -7 318.58 296.22 59.29 o
9 7 -7 1463.83 1580.62 127.82 o
1 8 -7 1629.78 1663.69 96.87 o
2 8 -7 2154.77 2177.21 80.74 o
3 8 -7 48.46 48.70 17.66 o
4 8 -7 2426.46 2211.80 82.44 o
5 8 -7 895.71 853.08 62.19 o
6 8 -7 726.69 676.19 56.29 o
1 9 -7 745.63 735.45 86.25 o
2 9 -7 978.09 902.00 94.06 o
0 0 -6 8273.39 8339.33 179.95 o
2 0 -6 5794.58 5736.16 113.94 o
4 0 -6 347.90 355.34 22.47 o
6 0 -6 13897.76 13574.78 194.54 o
8 0 -6 5408.15 5403.77 108.08 o
10 0 -6 32.17 22.66 14.56 o
12 0 -6 1861.06 1921.43 70.97 o
14 0 -6 4987.34 5112.37 120.69 o
16 0 -6 1327.88 1346.15 65.64 o
0 1 -6 446.07 463.70 27.35 o
1 1 -6 2964.05 2869.09 45.88 o
2 1 -6 244.42 238.67 12.89 o
3 1 -6 9325.14 9214.58 91.17 o
4 1 -6 588.42 628.49 18.29 o
5 1 -6 4207.93 4283.90 44.39 o
6 1 -6 1580.74 1589.19 42.13 o
7 1 -6 33.15 37.45 9.39 o
8 1 -6 160.86 174.59 14.80 o
9 1 -6 5250.81 5417.74 74.82 o
10 1 -6 979.09 1064.73 32.18 o
11 1 -6 5848.81 5946.26 86.24 o
12 1 -6 51.21 63.18 12.42 o
13 1 -6 394.66 418.18 25.11 o
14 1 -6 247.47 248.45 20.53 o
15 1 -6 1971.53 2004.12 54.97 o
16 1 -6 278.78 306.67 23.55 o
17 1 -6 3499.92 3572.99 91.47 o
0 2 -6 11864.73 11551.66 108.42 o
1 2 -6 582.89 567.19 19.28 o
2 2 -6 2168.35 2140.15 36.33 o
3 2 -6 156.56 160.25 12.99 o
4 2 -6 2447.45 2432.10 37.48 o
5 2 -6 35.07 33.04 5.76 o
6 2 -6 3646.98 3596.13 57.79 o
7 2 -6 94.19 99.60 11.83 o
8 2 -6 4695.00 4813.91 69.67 o
9 2 -6 167.73 144.00 15.48 o
10 2 -6 509.74 479.77 23.65 o
11 2 -6 553.93 590.25 30.87 o
12 2 -6 5086.26 5112.03 89.76 o
13 2 -6 71.83 59.20 13.05 o
14 2 -6 4117.07 4235.67 78.27 o
15 2 -6 376.54 388.67 25.06 o
16 2 -6 165.45 180.01 22.27 o
0 3 -6 2626.08 2754.34 51.24 o
1 3 -6 315.23 294.51 12.52 o
2 3 -6 95.41 92.77 8.81 o
3 3 -6 7032.25 7131.53 65.65 o
4 3 -6 1373.44 1426.15 29.45 o
5 3 -6 6622.26 6533.54 69.98 o
6 3 -6 96.47 90.30 13.34 o
7 3 -6 655.14 629.81 25.42 o
8 3 -6 562.06 584.78 25.19 o
9 3 -6 5394.70 5407.03 75.51 o
10 3 -6 761.14 803.03 30.24 o
11 3 -6 2450.23 2529.07 62.24 o
12 3 -6 356.63 322.27 24.05 o
13 3 -6 361.24 344.50 25.09 o
14 3 -6 662.70 686.25 36.30 o
15 3 -6 895.77 918.75 42.13 o
16 3 -6 59.42 60.80 61.59 o
0 4 -6 9741.43 9524.71 274.02 o
1 4 -6 113.03 120.74 15.76 o
2 4 -6 2671.91 2653.69 60.85 o
3 4 -6 850.71 808.46 28.38 o
4 4 -6 720.19 699.51 24.98 o
5 4 -6 1342.46 1326.29 32.02 o
6 4 -6 5972.86 5980.01 75.45 o
7 4 -6 50.12 56.62 10.52 o
8 4 -6 5907.55 5864.15 78.05 o
9 4 -6 800.01 805.38 30.02 o
10 4 -6 618.05 634.55 31.71 o
11 4 -6 52.19 66.05 16.00 o
12 4 -6 2237.75 2288.01 79.15 o
13 4 -6 30.96 48.04 22.88 o
14 4 -6 3931.69 4009.93 97.47 o
15 4 -6 125.64 137.29 56.01 o
0 5 -6 759.59 750.04 48.98 o
1 5 -6 3495.91 3382.39 71.42 o
2 5 -6 783.55 804.93 35.44 o
3 5 -6 7734.82 7746.49 106.95 o
4 5 -6 419.62 396.94 31.70 o
5 5 -6 2135.71 2130.30 69.08 o
6 5 -6 1840.21 1858.86 64.93 o
7 5 -6 2.22 -6.71 11.48 o
8 5 -6 1360.70 1377.08 49.97 o
9 5 -6 2202.24 2197.57 56.78 o
10 5 -6 525.45 574.50 36.54 o
11 5 -6 6223.99 6217.51 117.51 o
12 5 -6 519.31 457.95 34.41 o
13 5 -6 587.96 636.98 40.55 o
14 5 -6 574.26 642.42 41.07 o
15 5 -6 2940.86 2877.95 165.86 o
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1 6 -6 1444.73 1546.70 65.62 o
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3 6 -6 1964.78 1978.47 72.91 o
4 6 -6 318.45 316.06 29.59 o
5 6 -6 147.61 154.74 22.11 o
6 6 -6 5419.81 5378.52 162.74 o
7 6 -6 127.58 118.44 17.39 o
8 6 -6 3531.73 3520.89 81.95 o
9 6 -6 296.52 280.34 31.35 o
10 6 -6 473.57 469.73 39.98 o
11 6 -6 2219.50 2392.51 87.16 o
12 6 -6 1785.74 1900.12 68.05 o
13 6 -6 117.26 148.63 22.76 o
14 6 -6 2954.59 2985.91 173.43 o
0 7 -6 3490.49 3574.85 112.09 o
1 7 -6 216.14 239.55 32.62 o
2 7 -6 264.34 295.75 29.54 o
3 7 -6 2813.37 2841.00 84.42 o
4 7 -6 399.20 442.81 39.76 o
5 7 -6 3005.71 3030.48 137.24 o
6 7 -6 1039.50 1068.10 71.38 o
7 7 -6 208.56 191.13 25.79 o
8 7 -6 1319.14 1315.31 52.19 o
9 7 -6 3736.60 3963.59 111.13 o
10 7 -6 231.77 221.20 30.36 o
11 7 -6 1027.60 1143.74 78.92 o
12 7 -6 668.27 733.82 87.53 o
0 8 -6 5686.78 5434.50 209.82 o
1 8 -6 3.22 -8.85 16.19 o
2 8 -6 1409.36 1376.64 61.57 o
3 8 -6 1344.72 1344.83 60.74 o
4 8 -6 1875.90 1898.26 72.51 o
5 8 -6 3189.59 3129.83 93.09 o
6 8 -6 1743.08 1768.82 89.38 o
7 8 -6 261.16 267.11 29.40 o
8 8 -6 1103.38 1200.02 63.45 o
9 8 -6 1786.20 1836.01 78.55 o
10 8 -6 418.26 393.21 47.88 o
0 9 -6 3333.78 3433.18 174.10 o
1 9 -6 1105.47 1147.65 72.40 o
2 9 -6 777.81 694.69 57.46 o
3 9 -6 3481.01 3417.22 100.28 o
4 9 -6 566.92 594.36 43.46 o
5 9 -6 888.30 871.24 52.12 o
6 9 -6 1048.74 1028.17 56.00 o
7 9 -6 28.98 39.51 21.46 o
8 9 -6 1488.54 1632.68 129.12 o
0 10 -6 1270.77 1316.78 114.26 o
1 10 -6 918.10 909.90 67.89 o
2 10 -6 1108.21 1130.18 74.74 o
3 10 -6 2728.61 2704.40 113.97 o
4 10 -6 159.38 180.35 45.71 o
5 10 -6 422.40 414.10 45.58 o
6 10 -6 3460.42 3448.11 240.47 o
2 0 -5 16021.31 15496.76 162.63 o
4 0 -5 7796.71 7735.39 99.79 o
6 0 -5 298.52 317.82 29.69 o
8 0 -5 1652.24 1677.05 56.31 o
10 0 -5 9510.67 9587.35 151.03 o
12 0 -5 2107.63 2118.12 53.22 o
14 0 -5 726.17 754.70 44.94 o
16 0 -5 2806.80 2833.31 88.41 o
18 0 -5 2426.17 2510.57 87.22 o
1 1 -5 7104.38 6988.51 74.33 o
2 1 -5 2297.54 2276.81 38.65 o
3 1 -5 1656.87 1644.38 29.97 o
4 1 -5 422.29 391.24 14.82 o
5 1 -5 4640.91 4618.45 43.01 o
6 1 -5 1575.73 1568.81 39.60 o
7 1 -5 11702.82 11751.92 136.95 o
8 1 -5 2068.94 2044.81 42.11 o
9 1 -5 2694.43 2663.34 48.45 o
10 1 -5 24.22 33.41 9.37 o
11 1 -5 1224.98 1243.59 31.90 o
12 1 -5 1533.57 1525.52 42.24 o
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14 1 -5 177.08 201.31 18.01 o
15 1 -5 3631.17 3766.65 70.58 o
16 1 -5 590.21 613.63 30.26 o
17 1 -5 94.65 107.48 14.62 o
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19 1 -5 2766.19 2835.68 150.18 o
1 2 -5 277.35 307.78 13.26 o
2 2 -5 7850.89 7940.77 63.25 o
3 2 -5 40.77 43.18 6.85 o
4 2 -5 16839.24 16611.86 88.47 o
5 2 -5 318.35 319.97 11.20 o
6 2 -5 1691.43 1662.31 25.58 o
7 2 -5 634.65 612.95 20.46 o
8 2 -5 5196.75 5257.48 66.81 o
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10 2 -5 6519.77 6585.46 76.94 o
11 2 -5 437.51 422.17 20.53 o
12 2 -5 3016.77 2949.33 64.41 o
13 2 -5 358.32 409.24 29.17 o
14 2 -5 8.64 0.99 10.05 o
15 2 -5 74.86 55.43 12.16 o
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17 2 -5 69.87 68.92 15.48 o
18 2 -5 3909.02 4001.98 84.77 o
1 3 -5 14540.96 14623.54 98.36 o
2 3 -5 1212.76 1225.53 30.38 o
3 3 -5 244.43 271.28 15.50 o
4 3 -5 2544.93 2530.99 43.86 o
5 3 -5 3611.54 3675.01 63.11 o
6 3 -5 1191.62 1178.77 25.26 o
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8 3 -5 2834.34 2799.07 43.07 o
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10 3 -5 654.18 667.08 25.71 o
11 3 -5 828.99 801.30 27.86 o
12 3 -5 501.06 483.39 27.60 o
13 3 -5 7740.05 7870.74 108.53 o
14 3 -5 204.32 210.35 22.79 o
15 3 -5 2590.39 2584.79 65.74 o
16 3 -5 409.53 413.68 27.96 o
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3 4 -5 1021.72 945.30 15.45 o
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6 4 -5 1909.08 1856.94 46.96 o
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11 4 -5 162.23 170.39 25.68 o
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14 4 -5 720.02 687.58 41.41 o
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2 6 -5 7000.62 6860.93 117.06 o
3 6 -5 1216.09 1214.55 50.81 o
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5 6 -5 1504.18 1466.21 55.94 o
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8 6 -5 679.97 733.27 35.57 o
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10 6 -5 5394.30 5392.53 152.41 o
11 6 -5 293.23 350.47 34.30 o
12 6 -5 2825.34 2922.23 92.55 o
13 6 -5 47.59 46.85 18.71 o
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3 9 2 4621.73 4809.29 93.62 o
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1 10 2 1282.18 1295.03 76.99 o
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3 10 2 6422.90 6527.59 154.51 o
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3 11 2 2671.79 2764.12 115.50 o
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5 11 2 294.64 242.16 41.63 o
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5 7 3 4528.47 4467.23 81.92 o
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14 8 3 215.13 246.92 26.04 o
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1 9 3 3331.70 3199.94 249.80 o
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3 9 3 36.00 40.58 23.26 o
4 9 3 3777.78 3723.23 123.62 o
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