#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/74/2017424.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_2017424_Fobs
loop_
_publ_author_name
'Lincke, J\"org'
'L\"assig, Daniel'
'Krautscheid, Harald'
_publ_section_title
;
 Halogeno(triazolyl)zinc complexes as molecular building blocks for
 metal--organic frameworks
;
_journal_coeditor_code           EG3026
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m488
_journal_page_last               m490
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   16.1158
_cell_length_b                   44.4245
_cell_length_c                   7.3861
_exptl_crystal_F_000             2784.00
_reflns_d_resolution_high        0.7570
_[local]_cod_data_source_file    eg3026IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ip2-571 in F d d 2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            872.19
_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'
'-x+1/4, y+1/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+3/4, -y+5/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+5/4, -y+3/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+5/4, -y+5/4, z+1/4'
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 1 -9 699.70 539.91 151.10 o
3 1 -9 1457.00 1191.69 141.88 o
5 1 -9 5152.06 4681.75 249.04 o
7 1 -9 397.49 264.22 145.80 o
1 3 -9 1015.64 768.81 148.36 o
3 3 -9 3198.52 2495.14 147.96 o
5 3 -9 8192.86 7308.80 461.65 o
7 3 -9 787.39 624.54 163.98 o
1 5 -9 1053.76 856.16 134.18 o
3 5 -9 7231.83 5899.13 246.20 o
5 5 -9 3041.14 2251.32 155.20 o
7 5 -9 1198.12 781.65 151.87 o
1 7 -9 1355.70 1193.75 133.87 o
3 7 -9 3042.94 2709.76 167.06 o
5 7 -9 6086.72 5075.01 399.60 o
7 7 -9 1362.11 818.17 182.80 o
1 9 -9 2422.55 2026.85 165.56 o
3 9 -9 9688.36 8257.83 640.28 o
5 9 -9 782.69 589.35 171.64 o
7 9 -9 2920.04 2205.93 306.36 o
1 11 -9 1888.36 1712.77 151.71 o
3 11 -9 2465.73 1970.04 195.66 o
5 11 -9 5211.50 4172.84 400.00 o
7 11 -9 2627.61 2079.24 189.01 o
1 13 -9 1409.29 1149.19 170.87 o
3 13 -9 1096.45 797.50 162.10 o
5 13 -9 2736.23 2008.68 223.18 o
1 15 -9 2416.45 1797.48 182.31 o
3 15 -9 5570.97 4264.52 225.99 o
5 15 -9 5235.40 3425.91 302.81 o
1 17 -9 2551.04 1655.96 194.06 o
3 17 -9 1106.85 870.94 157.20 o
5 17 -9 641.26 365.24 175.73 o
1 19 -9 1894.86 1614.01 279.89 o
3 19 -9 2608.37 1910.27 239.73 o
1 21 -9 5809.76 5066.76 372.27 o
3 21 -9 1551.51 867.60 437.41 o
0 0 -8 16731.12 16641.26 378.51 o
4 0 -8 10954.97 10153.70 252.62 o
8 0 -8 11473.96 10349.37 266.04 o
12 0 -8 3553.00 2608.32 302.89 o
2 2 -8 836.41 1041.50 136.29 o
4 2 -8 375.19 473.12 139.28 o
6 2 -8 6131.84 5521.97 149.92 o
8 2 -8 252.19 288.17 138.20 o
10 2 -8 172.77 226.52 141.43 o
12 2 -8 69.25 156.26 242.63 o
0 4 -8 10913.70 9893.11 276.58 o
2 4 -8 1130.05 1057.25 142.32 o
4 4 -8 18474.02 18899.89 391.83 o
6 4 -8 1154.91 1398.23 167.02 o
8 4 -8 8743.49 7746.36 164.67 o
10 4 -8 267.08 305.37 138.30 o
12 4 -8 5475.89 4258.54 246.53 o
2 6 -8 1977.36 2038.45 151.73 o
4 6 -8 755.69 710.77 158.07 o
6 6 -8 12063.01 11668.06 437.16 o
8 6 -8 932.12 793.17 134.16 o
10 6 -8 787.34 554.28 119.83 o
0 8 -8 13218.48 12774.80 577.39 o
2 8 -8 6469.30 6280.80 152.65 o
4 8 -8 12137.75 12103.98 198.26 o
6 8 -8 5004.74 4957.31 176.58 o
8 8 -8 7556.19 7308.48 309.47 o
10 8 -8 2527.99 2343.81 143.13 o
2 10 -8 13421.44 13098.99 240.15 o
4 10 -8 1562.51 1601.07 165.60 o
6 10 -8 8888.06 8614.31 175.18 o
8 10 -8 1148.97 998.71 142.23 o
10 10 -8 3007.53 2556.32 144.55 o
0 12 -8 11253.26 10402.97 266.16 o
2 12 -8 5622.88 5631.64 183.22 o
4 12 -8 3399.32 3183.69 176.46 o
6 12 -8 5126.85 4701.69 343.34 o
8 12 -8 4084.53 3842.99 209.95 o
10 12 -8 6110.32 5139.01 258.19 o
2 14 -8 1003.29 1121.21 149.00 o
4 14 -8 601.13 751.95 165.18 o
6 14 -8 234.45 316.10 123.47 o
8 14 -8 674.29 382.16 147.74 o
10 14 -8 1217.44 1097.80 136.52 o
0 16 -8 7406.10 7778.91 345.59 o
2 16 -8 7500.54 7119.85 315.71 o
4 16 -8 5408.69 5625.06 281.60 o
6 16 -8 4744.60 4248.38 169.87 o
8 16 -8 1895.30 1695.94 177.71 o
10 16 -8 4103.97 3683.03 353.42 o
2 18 -8 6925.87 7241.61 284.66 o
4 18 -8 180.06 351.43 168.92 o
6 18 -8 2182.66 2474.12 279.21 o
8 18 -8 2291.43 2016.64 158.80 o
10 18 -8 762.41 365.81 153.34 o
0 20 -8 11741.30 13413.70 380.46 o
2 20 -8 5924.42 6533.73 499.21 o
4 20 -8 1745.70 1665.55 190.90 o
6 20 -8 6584.72 5615.36 396.41 o
8 20 -8 3278.76 3403.77 405.40 o
2 22 -8 8614.05 8151.82 289.69 o
4 22 -8 6888.76 7338.02 728.50 o
6 22 -8 3066.84 3249.52 551.07 o
8 22 -8 844.54 542.77 139.10 o
0 24 -8 12482.20 12901.30 402.70 o
2 24 -8 2849.43 2609.13 269.13 o
4 24 -8 939.96 1110.17 236.89 o
6 24 -8 2128.97 1900.89 216.88 o
8 24 -8 6305.45 4609.16 227.18 o
2 26 -8 1292.75 1466.43 267.06 o
4 26 -8 0.14 -21.62 236.65 o
6 26 -8 957.23 888.64 202.49 o
0 28 -8 3942.95 4220.27 379.77 o
2 28 -8 2979.64 2638.33 695.10 o
4 28 -8 5246.38 4858.60 536.54 o
6 28 -8 308.26 229.99 200.96 o
2 30 -8 1678.56 1381.29 308.93 o
4 30 -8 845.92 976.36 212.66 o
0 32 -8 4878.38 3770.73 392.64 o
2 32 -8 987.94 1063.17 184.43 o
1 1 -7 11691.85 11318.13 172.06 o
3 1 -7 2324.41 2277.15 137.31 o
5 1 -7 9984.53 9685.38 184.24 o
7 1 -7 4158.15 4449.81 130.19 o
9 1 -7 7099.71 6957.17 152.91 o
11 1 -7 810.80 639.11 141.29 o
13 1 -7 582.17 435.90 135.46 o
1 3 -7 30393.75 30221.27 286.98 o
3 3 -7 6982.44 6896.17 160.37 o
5 3 -7 4375.90 4542.32 156.06 o
7 3 -7 8198.90 8168.28 164.05 o
9 3 -7 15081.48 15061.00 345.30 o
11 3 -7 173.46 254.62 117.33 o
13 3 -7 3505.41 2915.75 148.11 o
1 5 -7 5083.49 5067.01 139.45 o
3 5 -7 8461.56 8713.32 199.13 o
5 5 -7 5001.40 5161.64 165.71 o
7 5 -7 3042.71 3625.38 169.87 o
9 5 -7 15628.13 14739.14 180.81 o
11 5 -7 3156.66 2879.73 138.16 o
13 5 -7 2372.54 2407.99 159.17 o
1 7 -7 9909.46 10229.50 280.40 o
3 7 -7 240.95 190.91 128.68 o
5 7 -7 1073.47 1131.45 161.86 o
7 7 -7 14237.27 15114.84 206.13 o
9 7 -7 8059.36 8490.24 229.38 o
11 7 -7 745.83 880.25 120.09 o
13 7 -7 1073.28 1009.80 134.44 o
1 9 -7 7409.97 7342.80 212.88 o
3 9 -7 23682.40 23068.11 595.35 o
5 9 -7 4700.35 5017.14 155.82 o
7 9 -7 8246.37 8262.55 176.90 o
9 9 -7 9299.25 9430.99 270.81 o
11 9 -7 4766.89 4528.77 143.72 o
13 9 -7 4950.68 4387.12 367.57 o
1 11 -7 16319.23 16576.86 518.43 o
3 11 -7 7912.61 8045.32 257.83 o
5 11 -7 95.82 270.54 139.54 o
7 11 -7 14843.94 15111.13 912.45 o
9 11 -7 2202.89 2534.23 174.57 o
11 11 -7 2991.92 2667.23 137.24 o
13 11 -7 1254.89 1133.14 157.35 o
1 13 -7 9260.54 9348.33 373.98 o
3 13 -7 8834.48 9111.90 213.85 o
5 13 -7 6087.70 6690.26 368.44 o
7 13 -7 1750.73 1936.87 172.02 o
9 13 -7 5728.81 6202.98 310.97 o
11 13 -7 8305.18 7246.70 313.84 o
13 13 -7 1163.42 1235.06 157.80 o
1 15 -7 23128.85 24560.11 924.59 o
3 15 -7 616.06 635.43 167.76 o
5 15 -7 1900.46 2199.77 199.69 o
7 15 -7 12953.44 13587.83 458.03 o
9 15 -7 6067.12 6435.35 347.69 o
11 15 -7 598.35 562.19 140.44 o
13 15 -7 1210.29 822.43 128.10 o
1 17 -7 3778.43 3719.04 182.03 o
3 17 -7 13463.54 14704.96 659.76 o
5 17 -7 9289.67 10040.51 542.36 o
7 17 -7 1302.23 1266.65 149.68 o
9 17 -7 1895.85 2120.36 158.77 o
11 17 -7 5801.80 5323.73 148.75 o
13 17 -7 567.11 675.20 157.15 o
1 19 -7 2864.41 3075.21 256.34 o
3 19 -7 6268.52 6657.05 407.83 o
5 19 -7 5176.89 5325.55 250.94 o
7 19 -7 7708.85 8442.69 563.51 o
9 19 -7 3599.69 3644.05 184.41 o
11 19 -7 1204.10 1250.77 148.86 o
13 19 -7 2269.10 1434.96 136.00 o
1 21 -7 24.14 111.77 186.90 o
3 21 -7 8582.69 9059.68 260.57 o
5 21 -7 9502.03 10138.96 513.31 o
7 21 -7 1310.90 1120.10 159.07 o
9 21 -7 572.52 559.50 126.89 o
11 21 -7 5286.01 3877.87 132.30 o
1 23 -7 6601.59 7734.19 538.53 o
3 23 -7 13747.99 15481.54 243.31 o
5 23 -7 6936.39 7650.88 231.27 o
7 23 -7 6196.60 6386.33 231.36 o
9 23 -7 3177.88 3108.50 238.92 o
11 23 -7 2639.07 2227.85 139.66 o
1 25 -7 881.65 1197.17 307.90 o
3 25 -7 5194.61 6327.15 453.33 o
5 25 -7 13216.60 14474.22 250.39 o
7 25 -7 1728.30 1635.91 242.74 o
9 25 -7 12.96 56.44 251.01 o
11 25 -7 5541.77 4794.42 384.81 o
1 27 -7 9549.93 10621.64 421.97 o
3 27 -7 2535.17 3199.83 249.12 o
5 27 -7 5550.00 5704.30 223.52 o
7 27 -7 916.22 1040.70 319.71 o
9 27 -7 2305.07 2468.73 331.38 o
11 27 -7 1106.10 1412.11 256.54 o
1 29 -7 429.49 283.58 246.62 o
3 29 -7 7769.94 8585.54 534.93 o
5 29 -7 3584.33 3474.39 220.39 o
7 29 -7 104.42 32.47 206.82 o
9 29 -7 131.14 34.93 203.88 o
1 31 -7 4373.71 5115.24 270.66 o
3 31 -7 5016.41 5196.03 286.01 o
5 31 -7 9657.84 8641.55 226.71 o
7 31 -7 66.76 154.14 298.24 o
9 31 -7 2313.91 2217.70 252.10 o
1 33 -7 2578.71 2654.19 192.48 o
3 33 -7 2719.77 2357.22 262.65 o
5 33 -7 2561.79 2696.91 478.88 o
7 33 -7 723.25 807.37 256.89 o
1 35 -7 646.08 516.27 210.65 o
3 35 -7 4879.24 4597.90 229.78 o
5 35 -7 5026.35 4537.99 252.74 o
7 35 -7 839.28 720.80 213.68 o
1 37 -7 1485.88 1671.80 266.46 o
3 37 -7 1933.48 1372.10 211.58 o
5 37 -7 2641.49 1968.99 257.49 o
1 39 -7 28.08 -64.76 208.11 o
3 39 -7 4136.34 3379.98 226.10 o
2 0 -6 52753.11 53629.02 375.12 o
6 0 -6 12502.42 12515.36 412.91 o
10 0 -6 20282.51 21601.63 777.86 o
14 0 -6 2233.60 2572.63 199.00 o
0 2 -6 96179.49 93291.93 2880.22 o
2 2 -6 994.03 1122.47 152.34 o
4 2 -6 3520.27 3232.31 151.05 o
6 2 -6 3813.45 4027.34 143.25 o
8 2 -6 52828.58 55490.37 1221.94 o
10 2 -6 708.81 585.40 108.86 o
12 2 -6 3636.63 4157.32 133.54 o
14 2 -6 1201.31 1321.59 127.04 o
16 2 -6 7221.22 6151.13 159.41 o
2 4 -6 16086.69 15623.71 215.54 o
4 4 -6 309.86 327.54 147.47 o
6 4 -6 4017.27 4178.26 151.63 o
8 4 -6 6630.01 5966.54 207.78 o
10 4 -6 16260.00 16073.81 438.14 o
12 4 -6 40.92 134.28 121.64 o
14 4 -6 438.04 436.88 121.48 o
16 4 -6 605.79 575.62 124.90 o
0 6 -6 150108.02 154541.59 7232.56 o
2 6 -6 14714.86 14476.41 168.04 o
4 6 -6 10383.88 10012.99 309.98 o
6 6 -6 8719.39 8719.94 323.81 o
8 6 -6 39681.83 41023.07 2647.81 o
10 6 -6 5668.65 5508.22 270.25 o
12 6 -6 2501.94 2864.49 161.31 o
14 6 -6 1772.79 2023.08 136.61 o
16 6 -6 8065.93 6179.70 324.53 o
2 8 -6 497.03 524.56 131.74 o
4 8 -6 1147.84 1291.98 164.21 o
6 8 -6 1677.38 1826.16 129.87 o
8 8 -6 2932.27 2859.59 172.15 o
10 8 -6 10843.78 10897.59 423.60 o
12 8 -6 3529.30 3396.22 239.23 o
14 8 -6 769.37 904.93 129.43 o
16 8 -6 4359.84 3355.88 218.77 o
0 10 -6 60038.53 59806.29 2543.12 o
2 10 -6 17350.58 16880.69 545.45 o
4 10 -6 1755.10 1858.00 177.75 o
6 10 -6 17969.80 17988.66 957.19 o
8 10 -6 22362.65 22900.19 1563.58 o
10 10 -6 5097.60 5166.24 178.74 o
12 10 -6 1090.34 1428.90 152.83 o
14 10 -6 4111.68 4065.34 145.28 o
16 10 -6 3539.56 2831.01 257.14 o
2 12 -6 19739.65 20605.82 887.17 o
4 12 -6 361.33 448.31 143.79 o
6 12 -6 9806.35 9899.18 470.74 o
8 12 -6 507.66 632.36 164.82 o
10 12 -6 7402.75 7214.82 169.33 o
12 12 -6 3773.53 3479.99 140.21 o
14 12 -6 4153.41 3696.79 258.38 o
16 12 -6 5493.66 4558.89 296.30 o
0 14 -6 4653.44 4478.51 478.77 o
2 14 -6 7880.59 8039.21 411.95 o
4 14 -6 7686.32 7834.79 437.67 o
6 14 -6 21914.83 23242.05 1396.72 o
8 14 -6 13370.15 14250.64 736.32 o
10 14 -6 7792.53 8167.01 449.44 o
12 14 -6 1174.78 1257.52 129.70 o
14 14 -6 6623.51 5906.22 427.06 o
16 14 -6 4363.80 3504.67 203.37 o
2 16 -6 11985.18 12915.92 657.56 o
4 16 -6 1021.07 1132.31 143.06 o
6 16 -6 19485.48 19332.63 1300.22 o
8 16 -6 9360.95 9302.59 489.17 o
10 16 -6 2791.42 2640.00 133.45 o
12 16 -6 1739.35 1446.49 144.40 o
14 16 -6 2669.78 2185.65 136.03 o
0 18 -6 3314.53 3701.42 327.09 o
2 18 -6 34892.12 37990.99 2102.49 o
4 18 -6 16447.08 17637.98 898.09 o
6 18 -6 15561.31 16015.91 725.41 o
8 18 -6 5486.28 5683.96 344.25 o
10 18 -6 16052.63 17269.90 542.71 o
12 18 -6 7759.99 7828.49 199.68 o
14 18 -6 5284.78 4940.58 366.25 o
2 20 -6 434.93 591.72 194.60 o
4 20 -6 3274.18 3264.15 209.71 o
6 20 -6 13711.46 15278.14 786.95 o
8 20 -6 3836.72 3783.68 178.80 o
10 20 -6 1088.47 1184.78 152.93 o
12 20 -6 3796.19 3719.45 268.63 o
14 20 -6 7212.71 7136.71 586.37 o
0 22 -6 388.82 438.54 308.61 o
2 22 -6 26241.39 29977.94 318.93 o
4 22 -6 18654.78 21290.72 373.15 o
6 22 -6 7555.40 7929.13 333.28 o
8 22 -6 135.73 245.97 134.73 o
10 22 -6 6065.31 6026.91 292.62 o
12 22 -6 4790.47 4878.14 173.94 o
14 22 -6 1625.25 1420.76 125.11 o
2 24 -6 6782.36 7944.41 227.47 o
4 24 -6 2233.79 2589.69 248.29 o
6 24 -6 6530.36 6862.65 266.27 o
8 24 -6 23.73 332.61 195.67 o
10 24 -6 122.74 197.25 144.58 o
12 24 -6 1833.91 1535.84 154.49 o
14 24 -6 6443.00 5137.99 623.77 o
0 26 -6 177.48 131.90 349.93 o
2 26 -6 3389.60 3846.49 255.21 o
4 26 -6 23278.56 27691.30 510.39 o
6 26 -6 501.67 620.86 192.18 o
8 26 -6 484.23 553.76 197.12 o
10 26 -6 2426.89 2299.36 176.83 o
12 26 -6 6232.23 6461.60 883.81 o
2 28 -6 7945.34 9130.44 273.81 o
4 28 -6 394.53 388.14 211.20 o
6 28 -6 6729.03 6804.31 742.86 o
8 28 -6 1958.43 1975.49 550.22 o
10 28 -6 496.72 481.78 188.04 o
12 28 -6 86.10 248.71 185.91 o
0 30 -6 201.64 380.44 246.08 o
2 30 -6 99.91 260.38 195.25 o
4 30 -6 33317.21 35611.57 1726.23 o
6 30 -6 1904.03 1948.80 338.25 o
8 30 -6 2096.79 2711.36 464.07 o
10 30 -6 82.92 74.98 184.51 o
12 30 -6 11261.63 11617.84 1350.60 o
2 32 -6 5433.21 5712.64 225.95 o
4 32 -6 82.64 114.47 190.54 o
6 32 -6 12697.46 12829.25 897.84 o
8 32 -6 268.94 564.72 236.72 o
10 32 -6 321.05 140.58 172.28 o
12 32 -6 45.11 -67.60 170.13 o
0 34 -6 2355.60 2401.52 370.30 o
2 34 -6 1205.12 1254.68 210.26 o
4 34 -6 19687.53 21187.40 1830.99 o
6 34 -6 142.43 272.92 182.59 o
8 34 -6 436.89 459.70 176.21 o
10 34 -6 63.47 34.93 296.77 o
2 36 -6 4576.24 4878.90 539.71 o
4 36 -6 1148.87 1031.82 173.33 o
6 36 -6 5035.62 5272.55 261.08 o
8 36 -6 2526.72 2060.27 199.99 o
10 36 -6 163.64 357.95 201.53 o
0 38 -6 555.03 528.63 238.72 o
2 38 -6 1778.72 1467.09 300.33 o
4 38 -6 15262.42 15198.26 2145.88 o
6 38 -6 2917.86 2488.32 210.86 o
8 38 -6 1516.18 1288.03 354.70 o
2 40 -6 597.47 730.05 170.64 o
4 40 -6 229.61 137.18 285.95 o
6 40 -6 1123.00 991.90 202.15 o
8 40 -6 135.57 22.21 201.19 o
0 42 -6 2317.41 1891.76 346.15 o
2 42 -6 6884.54 5043.38 197.23 o
4 42 -6 4989.48 4634.89 719.05 o
6 42 -6 1471.04 1632.02 247.60 o
2 44 -6 1653.78 1243.17 198.74 o
4 44 -6 237.62 194.82 169.62 o
0 46 -6 26.82 1.48 233.28 o
1 1 -5 22593.59 21426.03 234.28 o
3 1 -5 17838.04 16941.08 333.49 o
5 1 -5 34524.29 33740.26 1289.47 o
7 1 -5 7657.15 7153.30 321.82 o
9 1 -5 23578.30 24023.53 836.75 o
11 1 -5 8466.33 8468.67 170.26 o
13 1 -5 6824.80 7339.01 143.52 o
15 1 -5 1460.78 1742.20 166.96 o
17 1 -5 9215.26 8055.58 432.47 o
1 3 -5 46621.25 45902.58 695.25 o
3 3 -5 8078.64 7946.14 193.73 o
5 3 -5 11710.94 11010.54 484.94 o
7 3 -5 20211.44 20252.54 747.67 o
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