#------------------------------------------------------------------------------
#$Date: 2022-05-03 05:25:03 +0300 (Tue, 03 May 2022) $
#$Revision: 274832 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/40/2244085.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_2244085
_cell_angle_alpha                90.000
_cell_angle_beta                 130.906
_cell_angle_gamma                90.000
_cell_length_a                   26.5184
_cell_length_b                   7.2632
_cell_length_c                   15.3622
_exptl_crystal_F_000             1504.00
_reflns_d_resolution_high        0.7718
_cod_data_source_file            zn2019Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' tc11as130521_a.res in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            575.33
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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 331002.75 283066.62 4726.83 o
4 0 0 130163.33 128049.54 1987.93 o
6 0 0 38101.66 37605.39 581.76 o
8 0 0 60951.48 56435.66 966.39 o
10 0 0 58841.11 55803.74 838.47 o
12 0 0 63097.79 63451.57 1417.40 o
14 0 0 86346.65 83544.09 1332.91 o
16 0 0 34585.02 33449.21 1130.43 o
18 0 0 32407.92 30152.70 1418.98 o
20 0 0 6425.05 6913.81 638.60 o
22 0 0 5177.13 6272.08 625.78 o
24 0 0 3015.43 2935.04 488.56 o
1 1 0 526.31 544.15 77.85 o
3 1 0 22497.60 22872.66 193.40 o
5 1 0 1650.24 1764.90 44.51 o
7 1 0 241.93 346.76 27.62 o
9 1 0 18529.79 18810.59 233.09 o
11 1 0 18626.67 17934.98 241.05 o
13 1 0 9490.27 9290.87 196.81 o
15 1 0 3150.03 2965.57 117.53 o
17 1 0 17498.71 15817.49 667.76 o
19 1 0 12807.38 11390.69 579.37 o
21 1 0 8111.81 7776.19 711.77 o
23 1 0 9850.82 9249.39 589.29 o
25 1 0 10608.83 9634.13 504.17 o
0 2 0 10803.10 11032.23 178.34 o
2 2 0 4.85 26.47 8.67 o
4 2 0 9072.29 9392.57 130.13 o
6 2 0 282.75 313.92 24.26 o
8 2 0 2876.48 3341.91 92.69 o
10 2 0 48.39 53.24 13.61 o
12 2 0 2112.52 2044.61 83.38 o
14 2 0 88.15 72.89 23.70 o
16 2 0 187.28 222.38 53.09 o
18 2 0 2176.29 2143.27 363.85 o
20 2 0 71.16 75.53 61.69 o
22 2 0 42.18 82.30 79.40 o
24 2 0 23.05 35.28 65.42 o
1 3 0 1097.06 1244.46 50.35 o
3 3 0 2312.24 2339.74 56.56 o
5 3 0 25678.53 26446.66 273.46 o
7 3 0 12407.54 12752.86 172.39 o
9 3 0 13757.78 14047.98 246.30 o
11 3 0 10902.22 11110.67 200.72 o
13 3 0 21558.30 21030.04 533.39 o
15 3 0 16070.00 15075.61 462.77 o
17 3 0 9209.82 9677.80 501.43 o
19 3 0 11974.67 11229.01 1056.83 o
21 3 0 14660.96 13466.80 869.49 o
23 3 0 13426.95 12430.71 712.79 o
0 4 0 77517.37 73530.02 1006.62 o
2 4 0 145133.62 146327.69 1425.91 o
4 4 0 115992.40 115912.97 1014.13 o
6 4 0 70566.24 69758.74 639.50 o
8 4 0 50988.56 50278.00 678.17 o
10 4 0 66088.85 64699.97 962.72 o
12 4 0 41715.22 42162.23 696.37 o
14 4 0 35047.30 35983.65 3146.15 o
16 4 0 31928.17 35388.91 1131.89 o
18 4 0 17630.51 19715.01 998.61 o
20 4 0 12175.28 12476.41 1004.73 o
22 4 0 2306.77 2552.96 454.68 o
1 5 0 160.48 151.28 24.80 o
3 5 0 1139.00 1297.86 69.04 o
5 5 0 601.90 605.26 46.04 o
7 5 0 5911.65 6284.37 191.32 o
9 5 0 7359.92 7454.58 214.91 o
11 5 0 6375.62 6785.73 263.82 o
13 5 0 9236.11 9776.67 529.98 o
15 5 0 5992.32 6395.04 455.82 o
17 5 0 2247.37 2468.47 318.44 o
19 5 0 7240.31 8323.28 545.43 o
21 5 0 6779.78 7077.23 774.97 o
0 6 0 5075.82 5057.53 417.38 o
2 6 0 2175.26 2334.13 197.01 o
4 6 0 3194.84 3260.44 255.56 o
6 6 0 2497.63 2458.39 180.67 o
8 6 0 8012.28 7652.13 252.55 o
10 6 0 1275.58 1265.61 140.27 o
12 6 0 140.58 113.58 81.61 o
14 6 0 929.31 1069.77 189.10 o
16 6 0 833.26 991.54 190.90 o
18 6 0 812.27 1032.83 238.16 o
1 7 0 595.63 780.10 179.65 o
3 7 0 1551.62 1679.29 196.55 o
5 7 0 34.99 55.05 48.38 o
7 7 0 2784.95 2705.59 257.12 o
9 7 0 4314.40 3947.78 313.98 o
11 7 0 11114.92 10994.29 545.22 o
13 7 0 9800.98 10200.46 819.67 o
15 7 0 10202.47 11473.10 906.22 o
0 8 0 24979.27 23794.63 1255.56 o
2 8 0 32623.19 31029.88 1462.54 o
4 8 0 31215.04 31050.20 1027.44 o
6 8 0 41882.04 41057.16 1238.19 o
8 8 0 38438.00 38882.08 1752.65 o
10 8 0 20122.44 21950.30 1271.50 o
12 8 0 15318.66 17800.71 1155.91 o
1 9 0 410.82 432.53 119.20 o
3 9 0 1353.27 1277.48 285.85 o
5 9 0 1350.42 1120.04 267.62 o
7 9 0 597.16 762.16 226.91 o
-25 1 1 13345.29 13273.35 593.85 o
-23 1 1 11924.80 11362.62 527.79 o
-21 1 1 19318.84 19365.61 834.77 o
-19 1 1 14865.58 15357.53 556.85 o
-17 1 1 43760.86 40229.25 961.40 o
-15 1 1 28034.88 27595.99 434.49 o
-13 1 1 39424.77 38572.34 581.83 o
-11 1 1 44581.91 44022.89 692.94 o
-9 1 1 13266.34 12168.86 197.93 o
-7 1 1 20647.68 19847.97 226.94 o
-5 1 1 13433.39 13447.92 146.27 o
-3 1 1 19445.08 20002.30 152.23 o
-1 1 1 5977.00 5380.42 714.66 o
1 1 1 23864.20 24784.44 237.79 o
3 1 1 369.39 418.20 33.31 o
5 1 1 7139.15 7548.17 123.59 o
7 1 1 1520.45 1415.56 50.65 o
9 1 1 451.12 428.51 28.98 o
11 1 1 1017.48 1159.34 65.32 o
13 1 1 897.93 907.46 79.36 o
15 1 1 11062.01 10623.69 309.29 o
17 1 1 14849.07 13665.55 635.32 o
19 1 1 9539.04 8468.77 501.91 o
21 1 1 7137.01 5582.81 608.42 o
23 1 1 6302.44 6833.81 694.11 o
-24 2 1 1152.53 1173.61 173.06 o
-22 2 1 5257.28 4756.77 331.70 o
-20 2 1 6432.24 5739.21 434.54 o
-18 2 1 11188.08 11230.91 1185.52 o
-16 2 1 10380.96 9827.27 201.77 o
-14 2 1 13783.90 13580.20 292.17 o
-12 2 1 36956.49 37106.49 376.00 o
-10 2 1 46111.20 42778.87 381.53 o
-8 2 1 187662.05 189443.91 1386.57 o
-6 2 1 189163.41 191385.83 1188.53 o
-4 2 1 166546.39 167896.39 1246.47 o
-2 2 1 101679.38 103514.00 911.21 o
0 2 1 75416.61 74716.10 671.90 o
2 2 1 139516.53 134548.83 1119.99 o
4 2 1 143821.17 140316.39 1135.85 o
6 2 1 237989.95 236345.95 1767.91 o
8 2 1 118506.96 116904.00 960.93 o
10 2 1 101887.85 100490.28 970.54 o
12 2 1 76730.98 76056.13 907.97 o
14 2 1 59410.95 60677.76 972.67 o
16 2 1 34462.32 32663.81 1559.05 o
18 2 1 21460.81 19962.20 1193.20 o
20 2 1 13478.90 10567.45 872.34 o
22 2 1 8443.53 8835.28 582.00 o
-25 3 1 9542.08 10204.39 743.65 o
-23 3 1 10089.62 9580.80 491.98 o
-21 3 1 15062.57 14386.54 830.06 o
-19 3 1 20019.87 20170.64 653.88 o
-17 3 1 14280.70 15280.92 805.97 o
-15 3 1 12592.59 12427.82 270.69 o
-13 3 1 8014.17 7802.10 181.86 o
-11 3 1 14346.52 14100.23 242.38 o
-9 3 1 12746.26 12165.72 201.87 o
-7 3 1 35896.58 36274.72 322.64 o
-5 3 1 39588.50 40584.18 394.43 o
-3 3 1 24298.39 25481.15 220.88 o
-1 3 1 7912.33 8151.06 144.94 o
1 3 1 14564.95 16659.86 175.09 o
3 3 1 7823.35 8401.49 118.53 o
5 3 1 7047.53 7574.93 125.13 o
7 3 1 57.27 63.36 14.81 o
9 3 1 633.49 656.05 54.63 o
11 3 1 52.34 43.61 26.12 o
13 3 1 1638.19 1637.83 109.58 o
15 3 1 5801.33 6188.75 398.04 o
17 3 1 7421.22 7416.60 704.36 o
19 3 1 6285.61 6036.40 713.90 o
21 3 1 2867.45 2353.04 299.53 o
23 3 1 3339.94 4154.72 599.02 o
-22 4 1 47.53 62.07 116.16 o
-20 4 1 3.42 -41.24 41.24 o
-18 4 1 540.34 558.92 132.45 o
-16 4 1 3.74 -42.45 53.68 o
-14 4 1 949.88 989.93 88.37 o
-12 4 1 7456.58 6696.02 251.24 o
-10 4 1 6001.97 5844.57 195.77 o
-8 4 1 2941.22 2901.55 101.05 o
-6 4 1 1973.28 1978.12 85.59 o
-4 4 1 5775.91 5841.45 111.55 o
-2 4 1 80.62 71.55 14.85 o
0 4 1 241.97 237.45 22.05 o
2 4 1 1525.60 1510.80 51.08 o
4 4 1 2877.90 2901.14 83.86 o
6 4 1 1780.55 1859.67 69.33 o
8 4 1 46.35 37.76 17.04 o
10 4 1 8170.19 8415.13 298.11 o
12 4 1 809.44 837.23 147.59 o
14 4 1 1081.38 826.27 237.87 o
16 4 1 53.18 23.11 74.45 o
18 4 1 65.34 124.11 85.15 o
20 4 1 169.86 299.80 171.39 o
-21 5 1 13331.73 14278.54 1685.89 o
-19 5 1 16711.28 16888.66 830.35 o
-17 5 1 20816.19 23414.06 1390.36 o
-15 5 1 29465.21 30490.11 1034.77 o
-13 5 1 16995.21 18109.74 560.66 o
-11 5 1 6274.55 6449.68 226.16 o
-9 5 1 22830.23 22130.29 445.04 o
-7 5 1 27254.20 26470.34 490.71 o
-5 5 1 10853.87 10384.72 271.20 o
-3 5 1 8181.23 7907.88 181.83 o
-1 5 1 5538.98 5441.04 234.20 o
1 5 1 8672.69 9114.15 227.97 o
3 5 1 5642.57 5516.66 180.41 o
5 5 1 196.36 296.71 35.97 o
7 5 1 3831.43 4033.56 139.95 o
9 5 1 2806.00 2981.79 146.14 o
11 5 1 857.43 1109.31 318.02 o
13 5 1 8072.46 8028.60 493.16 o
15 5 1 4262.84 4908.87 396.81 o
17 5 1 3340.69 3641.14 508.20 o
19 5 1 6584.56 7191.52 615.82 o
-20 6 1 2733.54 2621.28 493.54 o
-18 6 1 4290.69 4778.79 574.54 o
-16 6 1 11984.88 14233.53 1484.46 o
-14 6 1 21353.21 20961.92 896.09 o
-12 6 1 18183.76 18133.42 581.47 o
-10 6 1 27499.56 26811.79 615.56 o
-8 6 1 17272.21 18533.69 603.22 o
-6 6 1 50228.56 49785.73 1259.66 o
-4 6 1 96536.87 95315.29 2007.60 o
-2 6 1 87353.07 86560.46 2605.63 o
0 6 1 66178.27 66091.20 2155.23 o
2 6 1 63612.65 65649.62 2181.14 o
4 6 1 64199.35 65289.12 1923.34 o
6 6 1 26175.41 27692.83 672.14 o
8 6 1 46541.98 49105.10 901.58 o
10 6 1 43694.86 44482.39 1019.06 o
12 6 1 38322.28 37975.84 1176.16 o
14 6 1 21937.04 23002.43 1150.16 o
16 6 1 15169.09 16657.06 753.73 o
18 6 1 10421.03 10549.63 649.76 o
-17 7 1 3480.25 3792.86 509.06 o
-15 7 1 5183.25 5514.48 600.45 o
-13 7 1 1497.70 1526.78 198.63 o
-11 7 1 1624.91 1737.77 260.22 o
-9 7 1 7097.89 7269.94 497.98 o
-7 7 1 9778.35 9878.09 499.76 o
-5 7 1 8837.88 8126.01 443.90 o
-3 7 1 1342.52 1125.08 159.25 o
-1 7 1 713.97 652.96 102.91 o
1 7 1 228.60 355.31 127.55 o
3 7 1 205.68 184.54 71.66 o
5 7 1 13.44 36.99 32.15 o
7 7 1 30.01 216.95 114.74 o
9 7 1 4.82 92.81 100.22 o
11 7 1 334.23 543.79 192.75 o
13 7 1 1498.77 1801.62 355.03 o
-12 8 1 140.34 49.82 76.02 o
-10 8 1 1027.30 608.42 196.16 o
-8 8 1 1431.82 1436.14 202.78 o
-6 8 1 1408.50 1753.87 582.37 o
-4 8 1 1783.01 1659.75 212.38 o
-2 8 1 2419.96 2019.71 334.53 o
0 8 1 4686.37 4927.70 530.12 o
2 8 1 2344.41 2170.47 424.21 o
4 8 1 3143.84 2990.67 292.71 o
6 8 1 3481.64 4346.33 522.72 o
8 8 1 4436.32 4718.16 563.72 o
10 8 1 1642.01 1128.29 296.95 o
-7 9 1 5158.81 5072.55 397.07 o
-5 9 1 5871.88 5536.12 592.19 o
-3 9 1 2437.98 1584.96 317.45 o
-1 9 1 1766.02 1978.45 247.60 o
1 9 1 1327.38 1415.28 298.66 o
3 9 1 160.25 92.53 99.93 o
5 9 1 142.39 261.65 149.47 o
-26 0 2 131.68 61.78 133.53 o
-24 0 2 1413.00 1376.27 220.25 o
-22 0 2 818.27 950.89 176.85 o
-20 0 2 7342.50 6632.42 494.96 o
-18 0 2 10866.24 10536.68 538.75 o
-16 0 2 18942.62 18855.46 884.09 o
-14 0 2 17397.51 16615.80 389.03 o
-12 0 2 23318.05 22022.13 409.90 o
-10 0 2 23268.29 21073.88 410.68 o
-8 0 2 69589.38 69380.38 885.12 o
-6 0 2 133270.09 136852.42 1466.95 o
-4 0 2 74665.88 73509.81 1333.37 o
0 0 2 236129.14 242487.44 2081.38 o
2 0 2 87364.32 86073.05 774.49 o
4 0 2 55017.56 53891.27 616.98 o
6 0 2 127002.06 124128.95 1363.42 o
8 0 2 101087.37 98770.80 1138.03 o
10 0 2 91029.05 88763.40 1360.21 o
12 0 2 60738.80 60409.41 1101.71 o
14 0 2 50675.70 51707.93 1543.80 o
16 0 2 54952.61 45039.43 1829.24 o
18 0 2 39095.52 31737.09 1508.09 o
20 0 2 21476.98 18583.93 1125.44 o
22 0 2 10472.63 9467.06 794.62 o
-27 1 2 8423.76 7455.08 448.50 o
-25 1 2 11375.61 11443.01 541.69 o
-23 1 2 14094.65 13430.86 728.66 o
-21 1 2 16965.18 17274.46 631.70 o
-19 1 2 34155.64 33541.01 762.94 o
-17 1 2 9848.03 9379.40 250.63 o
-15 1 2 19546.21 18832.96 476.31 o
-13 1 2 36587.15 37294.51 424.84 o
-11 1 2 126512.67 130609.81 1033.82 o
-9 1 2 93116.96 92239.77 739.37 o
-7 1 2 109701.79 109370.48 723.65 o
-5 1 2 52669.02 53523.35 381.01 o
-3 1 2 5394.43 5817.49 90.09 o
-1 1 2 9840.06 9935.77 110.71 o
1 1 2 24191.96 24576.01 212.00 o
3 1 2 18806.96 19609.14 153.77 o
5 1 2 15330.33 15995.90 190.98 o
7 1 2 6401.33 6767.94 123.07 o
9 1 2 9728.31 10513.00 172.28 o
11 1 2 4107.83 4028.64 132.53 o
13 1 2 772.24 751.89 61.95 o
15 1 2 55.48 84.56 78.86 o
17 1 2 5553.09 5044.29 373.75 o
19 1 2 3629.41 2273.10 380.08 o
21 1 2 2332.44 2856.75 431.62 o
23 1 2 2802.44 3129.78 470.62 o
-26 2 2 59.11 123.78 64.25 o
-24 2 2 15.58 56.46 44.61 o
-22 2 2 188.06 260.41 79.68 o
-20 2 2 88.84 25.07 49.99 o
-18 2 2 811.09 729.53 101.06 o
-16 2 2 478.42 456.13 49.04 o
-14 2 2 259.31 240.11 29.14 o
-12 2 2 464.90 558.99 35.17 o
-10 2 2 706.10 782.87 34.48 o
-8 2 2 632.08 815.01 30.26 o
-6 2 2 755.11 870.71 29.54 o
-4 2 2 825.89 892.05 34.01 o
-2 2 2 6050.20 6126.58 103.09 o
0 2 2 581.50 525.33 28.86 o
2 2 2 10967.83 11934.35 185.31 o
4 2 2 20516.03 21998.64 246.67 o
6 2 2 4100.78 4309.94 86.78 o
8 2 2 266.23 264.83 21.06 o
10 2 2 78.75 107.12 21.55 o
12 2 2 165.05 167.51 36.45 o
14 2 2 1881.84 1614.00 218.80 o
16 2 2 1294.38 992.77 261.08 o
18 2 2 106.94 -50.11 76.59 o
20 2 2 1546.52 1584.39 334.25 o
22 2 2 204.38 164.28 118.44 o
-25 3 2 19749.79 20024.24 748.96 o
-23 3 2 25152.03 25569.51 836.75 o
-21 3 2 30692.19 29158.54 876.24 o
-19 3 2 18478.55 19507.48 548.23 o
-17 3 2 22801.87 22927.91 593.76 o
-15 3 2 28764.00 28065.54 695.58 o
-13 3 2 29106.17 28113.86 365.19 o
-11 3 2 50337.00 51159.41 447.98 o
-9 3 2 47720.95 46194.26 476.34 o
-7 3 2 61707.84 62166.05 502.25 o
-5 3 2 35593.82 35622.65 325.82 o
-3 3 2 29369.87 28588.79 302.14 o
-1 3 2 6936.57 6876.07 115.63 o
1 3 2 1558.15 1347.69 70.42 o
3 3 2 6748.81 6759.68 131.09 o
5 3 2 6201.70 6595.03 108.81 o
7 3 2 5792.42 6198.75 124.40 o
9 3 2 1423.55 1308.48 63.04 o
11 3 2 2.73 26.48 22.05 o
13 3 2 1786.18 1620.36 115.70 o
15 3 2 3034.30 2812.65 356.74 o
17 3 2 297.85 575.68 211.82 o
19 3 2 2078.93 2137.58 386.63 o
21 3 2 3503.82 3956.61 394.92 o
-24 4 2 133.28 130.11 140.36 o
-22 4 2 373.78 620.66 232.61 o
-20 4 2 18.78 86.81 68.76 o
-18 4 2 1081.47 1031.18 138.31 o
-16 4 2 3524.18 3567.95 242.58 o
-14 4 2 8652.35 8412.06 239.09 o
-12 4 2 19803.72 20108.47 420.25 o
-10 4 2 45199.79 44578.09 543.63 o
-8 4 2 31709.61 31059.50 373.99 o
-6 4 2 43140.93 41323.46 394.37 o
-4 4 2 78524.61 79262.11 660.55 o
-2 4 2 88372.47 86199.73 819.24 o
0 4 2 108340.09 107390.19 999.45 o
2 4 2 113780.70 115791.12 966.05 o
4 4 2 93907.05 92565.70 869.97 o
6 4 2 62601.98 62032.32 617.31 o
8 4 2 79417.45 80213.23 1076.20 o
10 4 2 63085.00 66447.88 1922.62 o
12 4 2 57502.18 58197.37 2007.89 o
14 4 2 44284.22 42881.86 2074.94 o
16 4 2 28718.04 30810.82 2375.31 o
18 4 2 17721.22 18954.62 1234.77 o
20 4 2 14115.16 11338.44 947.50 o
-23 5 2 5425.75 4575.52 641.73 o
-21 5 2 5959.52 7252.26 498.54 o
-19 5 2 5371.44 6738.29 805.72 o
-17 5 2 15401.18 16608.65 734.10 o
-15 5 2 18957.18 19180.03 1353.64 o
-13 5 2 34682.82 34083.76 1015.49 o
-11 5 2 11563.55 11522.62 348.27 o
-9 5 2 25102.47 24766.06 489.43 o
-7 5 2 1988.37 2215.88 101.30 o
-5 5 2 5098.28 5067.51 165.96 o
-3 5 2 4409.20 4386.14 166.41 o
-1 5 2 4795.23 4422.47 256.84 o
1 5 2 7532.54 7652.41 213.10 o
3 5 2 3802.86 3627.22 148.45 o
5 5 2 6734.18 7073.60 200.68 o
7 5 2 18.04 39.01 17.43 o
9 5 2 2911.61 2906.59 209.32 o
11 5 2 120.22 156.37 55.90 o
13 5 2 532.26 585.18 105.49 o
15 5 2 1925.09 2035.56 200.15 o
17 5 2 1094.26 1083.91 148.96 o
-20 6 2 0.59 5.79 67.18 o
-18 6 2 147.24 286.49 111.33 o
-16 6 2 765.56 771.09 119.16 o
-14 6 2 40.55 89.79 47.76 o
-12 6 2 2409.71 2303.69 185.86 o
-10 6 2 1206.95 1289.73 138.73 o
-8 6 2 3021.60 2914.34 203.57 o
-6 6 2 54.29 76.32 52.28 o
-4 6 2 646.15 574.48 88.89 o
-2 6 2 364.27 312.56 82.94 o
0 6 2 1114.09 1447.73 245.42 o
2 6 2 8695.25 8801.70 639.45 o
4 6 2 2436.65 2478.16 170.18 o
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