#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:41:49 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181913 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/12/2241291.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241291
_cell_angle_alpha                90.989
_cell_angle_beta                 97.098
_cell_angle_gamma                101.909
_cell_length_a                   7.0909
_cell_length_b                   9.2120
_cell_length_c                   10.7056
_exptl_crystal_F_000             392.00
_reflns_d_resolution_high        0.7935
_cod_data_source_file            hb7514Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' s1 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            183.66
_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'
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 0 0 270.99 125.27 9.35 o
2 0 0 33732.14 31041.29 1000.58 o
3 0 0 944.48 974.16 28.66 o
4 0 0 10681.68 10991.69 252.95 o
5 0 0 678.43 706.40 18.25 o
6 0 0 3290.97 3312.72 64.92 o
7 0 0 536.89 554.06 19.28 o
8 0 0 482.71 429.71 37.08 o
-8 1 0 7.01 11.50 7.17 o
-7 1 0 329.58 322.38 14.31 o
-6 1 0 814.51 818.09 21.22 o
-5 1 0 1308.66 1375.75 31.26 o
-4 1 0 2550.95 2512.85 60.57 o
-3 1 0 2036.72 2142.10 59.13 o
-2 1 0 7149.59 6902.73 264.29 o
-1 1 0 44.50 57.04 3.75 o
0 1 0 334.92 112.80 7.17 o
1 1 0 370.11 377.05 19.01 o
2 1 0 1491.60 1402.68 47.15 o
3 1 0 317.86 360.25 12.97 o
4 1 0 126.22 124.60 6.25 o
5 1 0 64.85 73.80 5.31 o
6 1 0 763.11 777.43 19.20 o
7 1 0 105.14 104.58 9.66 o
8 1 0 103.88 88.19 19.63 o
-8 2 0 57.17 58.42 8.84 o
-7 2 0 164.53 170.13 10.94 o
-6 2 0 10.89 7.33 5.02 o
-5 2 0 193.67 189.49 8.94 o
-4 2 0 39.62 43.17 5.37 o
-3 2 0 3.21 6.50 2.93 o
-2 2 0 705.17 730.55 21.58 o
-1 2 0 1325.16 1482.96 71.36 o
0 2 0 411.66 403.23 23.99 o
1 2 0 3.47 -3.12 3.12 o
2 2 0 599.53 623.95 19.35 o
3 2 0 2.38 1.58 2.66 o
4 2 0 1295.20 1339.00 27.24 o
5 2 0 199.27 208.26 8.40 o
6 2 0 100.92 107.64 7.88 o
7 2 0 70.71 79.53 9.19 o
8 2 0 161.26 160.23 18.19 o
-8 3 0 42.39 33.60 8.22 o
-7 3 0 59.77 58.70 7.86 o
-6 3 0 74.20 76.09 7.31 o
-5 3 0 495.38 492.58 15.79 o
-4 3 0 145.19 165.61 9.34 o
-3 3 0 1546.86 1598.04 45.63 o
-2 3 0 3147.30 3273.33 108.28 o
-1 3 0 2345.43 2524.02 84.15 o
0 3 0 2609.38 1029.25 52.35 o
1 3 0 249.14 242.45 11.77 o
2 3 0 3615.92 3997.96 124.87 o
3 3 0 3.70 3.34 3.24 o
4 3 0 2692.66 2885.82 55.22 o
5 3 0 20.87 27.31 5.28 o
6 3 0 883.69 930.84 27.10 o
7 3 0 64.59 64.64 10.44 o
-8 4 0 149.70 132.84 12.95 o
-7 4 0 829.92 785.21 28.09 o
-6 4 0 116.71 107.35 9.78 o
-5 4 0 2956.70 2773.37 75.86 o
-4 4 0 4.38 -0.04 3.64 o
-3 4 0 2967.45 2792.14 114.52 o
-2 4 0 225.65 166.84 10.91 o
-1 4 0 5915.10 6071.32 198.40 o
0 4 0 497.53 350.56 31.07 o
1 4 0 2826.96 2933.69 99.45 o
2 4 0 2958.22 3001.99 130.41 o
3 4 0 709.43 758.59 18.83 o
4 4 0 785.13 791.34 20.27 o
5 4 0 4.40 -6.27 6.27 o
6 4 0 306.08 299.51 16.72 o
7 4 0 16.71 10.88 9.19 o
-8 5 0 11.44 2.96 11.24 o
-7 5 0 568.13 524.38 22.00 o
-6 5 0 79.62 73.03 8.62 o
-5 5 0 1023.13 965.01 30.55 o
-4 5 0 45.06 53.42 6.36 o
-3 5 0 2794.79 2750.72 74.09 o
-2 5 0 484.42 514.50 22.98 o
-1 5 0 914.37 958.34 37.33 o
0 5 0 1666.02 1586.74 109.29 o
1 5 0 242.83 217.31 10.88 o
2 5 0 514.48 583.25 17.22 o
3 5 0 49.50 53.98 6.07 o
4 5 0 234.79 221.82 17.15 o
5 5 0 0.35 -5.26 7.34 o
6 5 0 137.53 113.70 12.45 o
-8 6 0 83.24 83.49 16.14 o
-7 6 0 129.50 129.38 12.21 o
-6 6 0 0.75 -0.77 6.04 o
-5 6 0 99.35 99.04 11.30 o
-4 6 0 1.54 -4.33 4.33 o
-3 6 0 2.72 7.30 4.95 o
-2 6 0 219.98 215.64 20.86 o
-1 6 0 179.94 181.38 14.25 o
0 6 0 5.58 6.44 4.65 o
1 6 0 137.23 113.11 13.07 o
2 6 0 185.53 199.87 11.51 o
3 6 0 242.86 264.22 14.59 o
4 6 0 145.26 156.96 12.71 o
5 6 0 73.83 69.34 10.61 o
6 6 0 205.51 199.08 15.96 o
-8 7 0 0.23 4.99 16.83 o
-7 7 0 209.49 202.66 15.91 o
-6 7 0 3.58 -2.35 6.72 o
-5 7 0 562.08 569.90 22.32 o
-4 7 0 4.53 -0.33 6.97 o
-3 7 0 1089.92 1112.44 35.06 o
-2 7 0 83.97 100.41 11.00 o
-1 7 0 2501.69 2692.72 294.78 o
0 7 0 592.20 642.84 35.69 o
1 7 0 2520.07 1643.85 61.96 o
2 7 0 385.17 361.88 21.78 o
3 7 0 959.28 1041.84 43.94 o
4 7 0 278.43 316.28 17.82 o
5 7 0 232.90 227.98 16.93 o
-7 8 0 198.21 176.56 14.91 o
-6 8 0 555.80 525.52 28.54 o
-5 8 0 796.42 743.37 27.60 o
-4 8 0 983.98 999.91 33.68 o
-3 8 0 3450.56 3648.72 99.97 o
-2 8 0 349.78 341.66 29.20 o
-1 8 0 1986.25 2025.61 328.75 o
0 8 0 123.83 145.93 12.88 o
1 8 0 1397.00 1442.34 57.37 o
2 8 0 2.96 -1.42 10.26 o
3 8 0 897.83 858.19 80.86 o
4 8 0 99.81 96.99 15.70 o
-6 9 0 243.86 264.87 17.24 o
-5 9 0 44.98 33.34 9.48 o
-4 9 0 112.71 139.17 13.03 o
-3 9 0 16.26 1.97 7.87 o
-2 9 0 11.37 24.00 9.48 o
-1 9 0 76.90 77.39 19.34 o
0 9 0 49.25 44.27 42.53 o
1 9 0 4.92 4.39 7.91 o
2 9 0 7.99 -8.64 14.65 o
3 9 0 185.05 148.25 44.87 o
-5 10 0 22.85 27.74 10.41 o
-4 10 0 51.95 47.95 11.31 o
-3 10 0 136.72 181.05 16.11 o
-2 10 0 53.43 46.01 10.86 o
-1 10 0 198.63 219.11 107.51 o
0 10 0 0.22 -5.31 9.50 o
1 10 0 175.23 31.16 15.89 o
2 10 0 37.77 13.98 34.59 o
-4 11 0 263.52 295.92 21.00 o
-3 11 0 55.53 85.33 14.21 o
-2 11 0 229.44 284.67 23.69 o
-1 11 0 251.52 239.57 66.22 o
0 11 0 165.58 53.91 19.01 o
0 -11 1 293.14 381.10 38.33 o
1 -11 1 234.03 304.13 35.52 o
2 -11 1 352.51 377.41 52.19 o
3 -11 1 435.75 529.27 34.93 o
4 -11 1 299.62 284.52 20.74 o
-1 -10 1 25.86 23.32 12.55 o
1 -10 1 27.70 36.65 29.29 o
2 -10 1 448.73 471.10 43.69 o
3 -10 1 152.71 185.09 16.15 o
4 -10 1 155.38 162.87 15.27 o
5 -10 1 52.15 57.41 11.74 o
-4 -9 1 36.31 52.04 21.50 o
-3 -9 1 192.84 154.39 19.01 o
-2 -9 1 106.51 89.52 37.92 o
-1 -9 1 3.54 7.01 8.16 o
0 -9 1 35.39 30.27 20.10 o
1 -9 1 4.47 4.07 7.93 o
2 -9 1 43.92 47.73 10.18 o
3 -9 1 308.97 354.53 18.89 o
4 -9 1 0.46 -7.45 7.45 o
5 -9 1 1.94 -4.18 7.81 o
6 -9 1 42.75 30.49 14.70 o
-5 -8 1 13.98 17.62 13.44 o
-4 -8 1 1.63 7.62 9.28 o
-3 -8 1 0.00 0.68 9.66 o
-2 -8 1 104.14 101.49 14.20 o
-1 -8 1 0.03 -2.55 6.98 o
0 -8 1 431.46 515.84 74.48 o
1 -8 1 10.58 7.36 7.67 o
2 -8 1 429.73 466.38 26.40 o
3 -8 1 24.70 27.89 8.10 o
4 -8 1 601.75 614.98 24.03 o
5 -8 1 333.73 345.10 20.01 o
6 -8 1 213.64 186.78 14.22 o
7 -8 1 167.54 156.99 19.90 o
-5 -7 1 157.02 148.47 14.24 o
-4 -7 1 326.54 351.81 18.21 o
-3 -7 1 1013.34 1090.72 35.58 o
-2 -7 1 1467.23 1530.49 57.23 o
-1 -7 1 742.28 613.22 99.87 o
0 -7 1 2159.84 2173.06 79.93 o
1 -7 1 67.31 82.60 12.26 o
2 -7 1 4928.23 5345.14 179.34 o
3 -7 1 7.66 13.90 6.19 o
4 -7 1 2300.63 2289.32 64.75 o
5 -7 1 114.58 125.94 10.84 o
6 -7 1 907.66 866.08 31.83 o
7 -7 1 120.83 128.99 17.43 o
-6 -6 1 1.25 -6.52 8.81 o
-5 -6 1 954.22 965.89 36.48 o
-4 -6 1 633.55 640.86 24.35 o
-3 -6 1 975.13 1014.53 32.47 o
-2 -6 1 1100.48 1115.23 34.31 o
-1 -6 1 827.69 895.85 29.13 o
0 -6 1 2421.14 2209.19 162.97 o
1 -6 1 701.54 781.91 34.58 o
2 -6 1 1441.65 1480.60 73.54 o
3 -6 1 66.23 83.07 7.90 o
4 -6 1 845.43 824.81 26.84 o
5 -6 1 53.31 61.45 7.88 o
6 -6 1 238.90 223.76 13.91 o
7 -6 1 17.06 6.41 14.65 o
8 -6 1 2.20 -3.64 12.22 o
-7 -5 1 114.79 133.37 19.94 o
-6 -5 1 8.02 4.66 8.49 o
-5 -5 1 159.44 166.88 11.54 o
-4 -5 1 53.93 54.95 7.26 o
-3 -5 1 221.17 222.32 12.59 o
-2 -5 1 51.10 66.50 5.83 o
-1 -5 1 2.48 1.56 2.55 o
0 -5 1 1.00 0.43 4.26 o
1 -5 1 390.74 502.11 26.39 o
2 -5 1 1275.97 1425.74 51.65 o
3 -5 1 153.08 167.81 12.02 o
4 -5 1 603.76 611.60 20.74 o
5 -5 1 0.02 -1.15 4.65 o
6 -5 1 510.01 477.88 19.12 o
7 -5 1 8.07 6.74 9.71 o
8 -5 1 111.35 82.06 15.50 o
-7 -4 1 8.84 6.03 9.50 o
-6 -4 1 12.75 10.80 7.89 o
-5 -4 1 24.02 19.67 6.04 o
-4 -4 1 88.60 83.95 7.54 o
-3 -4 1 1263.53 1331.70 29.84 o
-2 -4 1 293.17 317.20 10.65 o
-1 -4 1 1757.30 1854.56 64.64 o
0 -4 1 4499.47 4569.16 216.88 o
1 -4 1 2197.80 2409.77 81.63 o
2 -4 1 1320.10 1329.60 47.25 o
3 -4 1 966.01 927.93 28.90 o
4 -4 1 1825.45 1759.27 51.38 o
5 -4 1 394.98 385.55 13.59 o
6 -4 1 926.44 901.65 26.06 o
7 -4 1 0.93 2.72 7.15 o
8 -4 1 150.33 131.90 14.40 o
-7 -3 1 219.62 214.63 16.10 o
-6 -3 1 29.55 27.62 6.22 o
-5 -3 1 2043.07 2041.58 45.14 o
-4 -3 1 3.67 7.09 3.24 o
-3 -3 1 3337.64 3306.16 62.03 o
-2 -3 1 206.29 235.23 11.03 o
-1 -3 1 10646.36 11138.31 362.91 o
1 -3 1 14611.60 15478.75 496.76 o
2 -3 1 2065.50 1991.01 55.05 o
3 -3 1 3143.38 3185.74 87.01 o
4 -3 1 2021.81 1967.36 56.36 o
5 -3 1 820.68 805.34 22.62 o
6 -3 1 511.43 531.58 17.80 o
7 -3 1 68.84 64.45 10.13 o
8 -3 1 197.75 179.07 15.40 o
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-5 -2 1 2101.77 2191.23 48.09 o
-4 -2 1 348.72 381.91 10.32 o
-3 -2 1 7955.13 8025.81 185.08 o
-2 -2 1 408.20 439.47 12.38 o
-1 -2 1 13762.18 15180.65 601.41 o
0 -2 1 1372.96 1476.73 69.49 o
1 -2 1 4813.75 5038.91 133.13 o
2 -2 1 1279.16 1315.84 37.06 o
3 -2 1 5088.25 5478.21 146.38 o
4 -2 1 381.91 395.30 15.26 o
5 -2 1 223.86 226.96 9.94 o
6 -2 1 158.16 158.97 9.47 o
7 -2 1 1.23 2.68 7.19 o
8 -2 1 23.55 26.61 9.91 o
-8 -1 1 13.83 6.39 8.87 o
-7 -1 1 177.42 185.59 12.11 o
-6 -1 1 7.72 4.18 3.82 o
-5 -1 1 247.84 274.28 9.20 o
-4 -1 1 875.25 946.38 22.57 o
-3 -1 1 645.52 659.95 15.89 o
-2 -1 1 1339.50 1322.05 31.47 o
0 -1 1 23.82 23.06 2.80 o
1 -1 1 155.74 176.39 8.04 o
2 -1 1 994.89 1057.74 45.58 o
3 -1 1 1559.17 1673.76 47.24 o
4 -1 1 192.81 189.55 8.26 o
5 -1 1 643.41 635.61 19.53 o
6 -1 1 354.42 350.37 13.72 o
7 -1 1 52.75 59.77 9.62 o
8 -1 1 170.46 173.36 18.06 o
-8 0 1 1.01 9.15 8.74 o
-7 0 1 25.63 20.07 8.78 o
-6 0 1 30.64 33.21 4.93 o
-5 0 1 18.16 22.17 3.74 o
-4 0 1 64.13 80.84 5.57 o
-3 0 1 159.59 131.54 8.26 o
-2 0 1 1530.15 1644.35 66.22 o
-1 0 1 899.41 1036.42 48.61 o
0 0 1 53.82 54.84 3.74 o
1 0 1 1334.47 478.95 24.31 o
3 0 1 2828.39 2735.59 65.15 o
4 0 1 3127.26 3197.17 68.58 o
5 0 1 950.50 941.87 21.08 o
6 0 1 975.64 935.90 20.38 o
7 0 1 436.09 454.36 15.66 o
-8 1 1 133.47 132.47 12.84 o
-7 1 1 133.81 141.29 10.12 o
-6 1 1 2697.73 2657.83 63.99 o
-5 1 1 1044.55 1060.14 28.55 o
-4 1 1 2885.89 2860.20 68.32 o
-3 1 1 5041.69 5116.71 136.31 o
-2 1 1 3098.43 3086.75 152.07 o
-1 1 1 16430.35 16126.21 732.29 o
1 1 1 23558.40 18240.81 832.94 o
2 1 1 480.99 523.51 28.36 o
3 1 1 9087.67 9101.17 297.47 o
4 1 1 16.12 10.50 3.32 o
5 1 1 3655.01 3790.49 72.73 o
6 1 1 489.14 511.68 13.58 o
7 1 1 926.01 899.83 31.50 o
-8 2 1 825.38 862.85 56.09 o
-7 2 1 70.50 74.65 8.26 o
-6 2 1 771.61 742.61 22.10 o
-5 2 1 389.88 369.70 12.83 o
-4 2 1 2275.00 2241.37 62.85 o
-3 2 1 1583.28 1574.43 54.75 o
-2 2 1 7389.01 7725.82 502.32 o
-1 2 1 1546.44 1621.32 79.46 o
0 2 1 190.74 195.07 15.89 o
1 2 1 1760.16 1884.94 89.43 o
2 2 1 111.02 111.79 6.22 o
3 2 1 449.14 446.33 13.28 o
4 2 1 0.09 -0.31 1.99 o
5 2 1 0.98 0.93 3.56 o
6 2 1 48.31 54.39 5.99 o
7 2 1 56.72 48.32 9.77 o
8 2 1 0.64 3.74 18.07 o
-8 3 1 255.06 238.70 16.40 o
-7 3 1 22.18 11.64 7.10 o
-6 3 1 381.02 369.95 16.44 o
-5 3 1 18.09 10.46 4.56 o
-4 3 1 291.49 289.53 15.41 o
-3 3 1 115.90 141.22 9.88 o
-2 3 1 843.77 868.10 34.90 o
-1 3 1 197.30 201.45 16.52 o
0 3 1 217.06 201.61 18.70 o
1 3 1 1074.57 1112.83 39.88 o
2 3 1 183.84 201.65 9.43 o
3 3 1 678.09 712.01 23.27 o
4 3 1 206.85 218.77 8.86 o
5 3 1 365.72 385.20 14.50 o
6 3 1 20.36 18.57 7.63 o
7 3 1 168.10 165.21 20.04 o
-8 4 1 227.33 236.11 16.43 o
-7 4 1 12.56 10.55 7.04 o
-6 4 1 873.83 834.24 28.14 o
-5 4 1 230.08 219.80 11.52 o
-4 4 1 2709.92 2712.88 93.51 o
-3 4 1 2864.48 2923.45 99.23 o
-2 4 1 5232.21 5403.86 177.67 o
-1 4 1 1996.86 2106.50 72.69 o
0 4 1 5901.46 6089.60 290.58 o
1 4 1 3988.51 4096.11 153.31 o
2 4 1 3194.02 3321.60 112.88 o
3 4 1 3213.25 3331.70 114.39 o
4 4 1 238.32 238.45 12.58 o
5 4 1 1310.96 1409.30 42.21 o
6 4 1 214.94 188.26 14.06 o
7 4 1 267.12 270.64 19.47 o
-8 5 1 229.60 205.28 16.03 o
-7 5 1 145.48 130.78 12.10 o
-6 5 1 671.39 650.64 30.26 o
-5 5 1 218.04 224.71 12.44 o
-4 5 1 3042.13 2901.47 78.61 o
-3 5 1 508.23 531.07 18.64 o
-2 5 1 4078.42 4090.23 137.09 o
-1 5 1 174.59 147.05 18.70 o
0 5 1 3570.01 3796.50 231.10 o
1 5 1 54.23 30.53 9.98 o
2 5 1 1357.47 821.41 45.18 o
3 5 1 40.31 38.23 5.44 o
4 5 1 482.07 487.92 19.64 o
5 5 1 101.63 105.49 10.97 o
6 5 1 41.18 38.98 9.82 o
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-6 6 1 833.86 751.11 26.94 o
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-4 6 1 1361.73 1353.93 45.02 o
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-2 6 1 1009.17 1029.19 32.33 o
-1 6 1 18.53 16.12 4.05 o
0 6 1 1749.79 1993.90 58.27 o
1 6 1 35.62 43.37 8.95 o
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3 6 1 156.04 175.58 12.51 o
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5 6 1 0.31 -7.48 7.86 o
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-3 7 1 26.56 36.03 7.09 o
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-1 7 1 1.47 -1.86 4.92 o
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0 8 1 1960.75 2196.63 117.87 o
1 8 1 60.70 47.76 19.37 o
3 8 1 27.48 33.28 15.11 o
4 8 1 655.01 622.73 73.23 o
-6 9 1 150.59 160.24 14.63 o
-5 9 1 891.91 829.47 31.16 o
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-3 9 1 1261.82 1284.56 42.33 o
-2 9 1 1533.77 1481.82 111.30 o
-1 9 1 1375.03 1458.07 59.45 o
3 9 1 88.18 59.85 14.86 o
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-3 10 1 72.47 108.98 13.08 o
-2 10 1 3.08 7.83 9.09 o
-1 10 1 107.53 121.65 23.03 o
0 10 1 23.07 11.84 11.84 o
1 10 1 65.33 0.93 10.91 o
2 10 1 10.56 -4.81 10.03 o
-4 11 1 77.31 92.94 14.01 o
-3 11 1 57.34 56.63 12.92 o
-2 11 1 214.87 263.66 20.29 o
-1 11 1 2.85 14.65 18.39 o
0 11 1 186.38 94.42 22.44 o
0 -11 2 210.96 257.39 34.59 o
1 -11 2 41.05 41.11 20.25 o
2 -11 2 299.25 313.66 40.51 o
3 -11 2 56.60 60.40 16.01 o
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-1 -10 2 700.57 747.82 38.53 o
0 -10 2 55.12 60.55 35.21 o
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3 -10 2 1172.92 1285.84 44.16 o
4 -10 2 375.43 401.10 22.01 o
5 -10 2 374.10 372.14 20.86 o
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