#------------------------------------------------------------------------------
#$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $
#$Revision: 31968 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/24/2232496.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_2232496_Fobs
loop_
_publ_author_name
'Osters, Oliver'
'Nilges, Tom'
_publ_section_title
;
 Cu~4.35~Cd~1.65~As~16~: the first polyarsenic compound in the Cu--Cd--As
 system
;
_journal_coeditor_code           WM2539
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i62
_journal_volume                  67
_journal_year                    2011
_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
_cell_angle_beta                 110.480(4)
_cell_angle_gamma                90
_cell_length_a                   11.8324(6)
_cell_length_b                   10.4423(4)
_cell_length_c                   8.0903(4)
_exptl_crystal_F_000             1467
_reflns_d_resolution_high        0.7273
_[local]_cod_data_source_file    wm2539Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_refln_list_code           4
_shelx_f_calc_maximum            728.73
_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, -y, -z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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 1779.21 1268.04 150.70 o
4 0 0 24635.20 22669.40 236.22 o
6 0 0 8417.50 8212.01 147.93 o
8 0 0 320.21 292.54 206.11 <
10 0 0 48892.70 47450.10 590.58 o
12 0 0 134096.00 134089.00 1306.04 o
14 0 0 15850.60 13636.60 471.90 o
3 1 0 8037.99 8115.57 135.72 o
5 1 0 21400.60 21087.00 124.14 o
7 1 0 15928.30 16170.40 151.71 o
9 1 0 12999.30 13201.30 175.80 o
11 1 0 5771.03 5887.63 144.17 o
13 1 0 1915.38 2603.16 233.33 o
15 1 0 1307.78 1412.05 178.17 o
0 2 0 5200.00 5469.82 170.83 o
2 2 0 2044.24 2202.86 164.70 o
4 2 0 66712.50 62169.70 708.52 o
6 2 0 259974.00 246180.00 2979.82 o
8 2 0 73.34 317.82 176.20 <
10 2 0 6788.59 6776.38 215.87 o
12 2 0 965.22 1216.62 174.18 o
14 2 0 541.02 810.46 195.47 o
1 3 0 4541.71 4238.32 107.47 o
3 3 0 17914.80 17441.10 270.08 o
5 3 0 20342.40 19565.40 173.89 o
7 3 0 467.38 711.37 125.65 o
9 3 0 2926.48 2995.95 154.18 o
11 3 0 3152.88 3497.23 169.48 o
13 3 0 13341.60 13397.50 456.08 o
0 4 0 4685.81 4060.38 131.41 o
2 4 0 21506.40 20996.90 168.91 o
4 4 0 4731.44 4709.90 108.24 o
6 4 0 12083.20 11570.10 127.99 o
8 4 0 5401.95 5999.14 148.13 o
10 4 0 18921.30 19346.00 224.80 o
12 4 0 2166.65 2335.18 195.43 o
14 4 0 10.28 482.05 159.58 o
1 5 0 5503.45 5054.75 88.95 o
3 5 0 24850.90 23439.00 258.91 o
5 5 0 55904.30 54462.60 503.67 o
7 5 0 186430.00 183151.00 1448.02 o
9 5 0 7696.03 7647.67 178.66 o
11 5 0 603.55 966.03 167.54 o
13 5 0 1208.11 1238.54 212.07 o
0 6 0 7576.97 7231.47 128.08 o
2 6 0 64941.00 63490.10 649.76 o
4 6 0 3141.63 3103.69 108.97 o
6 6 0 1968.23 2081.07 105.68 o
8 6 0 4594.98 4454.41 147.51 o
10 6 0 1297.68 1525.02 158.22 o
12 6 0 189.70 477.39 153.59 o
1 7 0 131959.00 131365.00 1191.45 o
3 7 0 38085.80 38085.20 313.45 o
5 7 0 1030.52 1092.90 109.02 o
7 7 0 2251.00 2468.60 151.55 o
9 7 0 8063.63 8303.12 256.38 o
11 7 0 1407.26 1761.69 146.92 o
13 7 0 43480.40 38932.20 1370.49 o
0 8 0 9666.58 9104.83 163.27 o
2 8 0 30676.00 29688.70 318.71 o
4 8 0 20559.50 20940.10 446.62 o
6 8 0 944.49 1071.00 136.29 o
8 8 0 24384.00 25008.20 420.20 o
10 8 0 12738.50 12059.10 1173.11 o
12 8 0 338.01 402.25 162.89 <
1 9 0 3453.61 3492.77 105.00 o
3 9 0 31887.30 33291.10 433.37 o
5 9 0 2535.43 2967.04 144.90 o
7 9 0 15109.60 16584.00 372.94 o
9 9 0 3922.81 4069.96 192.07 o
11 9 0 1769.66 2055.47 168.19 o
0 10 0 27621.30 27425.30 478.14 o
2 10 0 393.54 707.41 128.32 o
4 10 0 11997.30 12679.00 186.53 o
6 10 0 10376.90 10477.10 257.64 o
8 10 0 94.16 708.78 142.95 o
10 10 0 1148.37 1517.11 171.52 o
1 11 0 2701.90 3054.14 134.93 o
3 11 0 1114.10 1457.25 136.95 o
5 11 0 5246.31 5255.35 164.79 o
7 11 0 787.56 1271.17 164.21 o
9 11 0 20620.80 19155.60 471.68 o
0 12 0 601.34 638.92 184.16 o
2 12 0 94.25 651.59 151.60 o
4 12 0 357.77 732.02 197.47 o
6 12 0 20883.00 19855.10 453.72 o
8 12 0 1678.01 1772.30 189.46 o
1 13 0 10156.50 10068.20 206.54 o
3 13 0 349.51 707.43 154.92 o
5 13 0 2476.78 2299.93 167.51 o
0 14 0 5350.33 5617.79 292.39 o
2 14 0 891.53 938.08 176.85 o
-15 1 1 1957.33 2332.63 219.37 o
-13 1 1 0.46 210.11 204.12 <
-11 1 1 34072.80 34764.80 230.90 o
-9 1 1 1564.04 1390.58 150.23 o
-7 1 1 5.45 162.24 83.78 <
-5 1 1 31.95 125.67 86.44 <
-3 1 1 1754.33 1982.79 106.94 o
1 1 1 5199.07 5011.95 173.53 o
3 1 1 49763.60 47328.90 270.60 o
5 1 1 542.09 575.72 174.84 o
7 1 1 12986.90 12779.00 211.54 o
9 1 1 5756.48 5552.79 186.66 o
11 1 1 339.20 620.99 194.14 o
13 1 1 5545.29 5440.73 257.15 o
-14 2 1 164.98 480.71 254.65 <
-12 2 1 6308.32 6840.85 169.41 o
-10 2 1 104374.00 101615.00 328.88 o
-8 2 1 7510.33 7255.78 182.57 o
-6 2 1 412.88 563.11 87.76 o
-4 2 1 26415.70 24933.00 148.72 o
-2 2 1 754.30 680.56 139.57 o
0 2 1 159.65 250.64 127.65 <
2 2 1 343682.00 366840.00 4197.17 o
4 2 1 5078.72 5422.79 172.60 o
6 2 1 2944.73 2969.43 187.38 o
8 2 1 5209.23 5419.29 214.57 o
10 2 1 1290.58 1515.69 122.98 o
12 2 1 4509.63 4842.49 233.25 o
14 2 1 15110.40 13832.90 321.28 o
-15 3 1 502.61 536.54 203.45 <
-13 3 1 404.14 488.01 186.83 <
-11 3 1 1832.87 2236.82 155.55 o
-9 3 1 7166.81 6844.80 156.06 o
-7 3 1 865.16 1076.94 99.72 o
-5 3 1 215001.00 210887.00 2258.86 o
-3 3 1 132265.00 131889.00 1019.52 o
-1 3 1 3744.45 3335.79 134.73 o
1 3 1 13092.10 12476.30 178.48 o
3 3 1 22219.30 22031.00 244.83 o
5 3 1 3931.63 3767.64 162.08 o
7 3 1 22462.90 22327.10 239.66 o
9 3 1 106890.00 105528.00 907.01 o
11 3 1 1656.44 1558.20 122.98 o
13 3 1 191.90 472.73 190.82 <
-14 4 1 10506.70 10871.00 330.07 o
-12 4 1 10367.00 10556.90 327.37 o
-10 4 1 71.01 371.67 144.28 <
-8 4 1 82.77 271.27 100.40 <
-6 4 1 8941.21 8723.09 157.93 o
-4 4 1 271127.00 258670.00 2954.97 o
-2 4 1 44874.00 42910.70 227.02 o
0 4 1 6413.97 6330.75 108.12 o
2 4 1 2438.34 2660.84 110.95 o
4 4 1 17083.80 16616.80 188.01 o
6 4 1 45857.20 43955.70 438.07 o
8 4 1 105492.00 104028.00 810.27 o
10 4 1 677.91 849.66 174.19 o
12 4 1 2020.27 2473.51 144.91 o
14 4 1 257.63 368.34 267.28 <
-13 5 1 1843.62 2145.18 209.40 o
-11 5 1 19081.20 20583.50 476.22 o
-9 5 1 6363.07 6588.75 130.19 o
-7 5 1 1715.22 1709.58 111.00 o
-5 5 1 378.10 679.47 94.41 o
-3 5 1 20382.10 19903.60 257.88 o
-1 5 1 3198.84 3133.35 90.34 o
1 5 1 67648.80 66268.00 528.55 o
3 5 1 49096.00 47205.00 394.03 o
5 5 1 0.49 241.36 171.54 <
7 5 1 12673.20 13043.60 261.42 o
9 5 1 188.74 838.42 148.27 o
11 5 1 1255.17 1493.80 150.24 o
13 5 1 882.59 1116.92 197.46 o
-14 6 1 7.79 79.79 205.45 <
-12 6 1 83.01 257.98 226.73 <
-10 6 1 27188.90 28489.10 630.69 o
-8 6 1 44219.50 43297.20 505.14 o
-6 6 1 775.67 751.90 99.72 o
-4 6 1 1364.09 1645.81 99.71 o
-2 6 1 1338.16 1488.23 103.03 o
0 6 1 64275.40 63314.70 547.56 o
2 6 1 77488.40 74395.30 460.93 o
4 6 1 10527.80 10226.60 209.00 o
6 6 1 19.50 400.27 114.36 o
8 6 1 743.29 927.44 150.92 o
10 6 1 451.02 497.98 129.65 o
12 6 1 21654.60 21615.70 374.09 o
-13 7 1 412.99 648.25 172.87 o
-11 7 1 2842.24 2712.53 200.07 o
-9 7 1 5466.43 5926.54 209.29 o
-7 7 1 1371.33 1651.26 100.38 o
-5 7 1 13782.20 14058.70 228.83 o
-3 7 1 14925.20 15223.50 357.32 o
-1 7 1 486.39 549.82 87.76 o
1 7 1 12.60 116.36 125.67 <
3 7 1 1376.87 1324.14 113.67 o
5 7 1 2280.99 2673.88 213.35 o
7 7 1 315.14 434.16 121.01 o
9 7 1 18192.50 17470.50 323.06 o
11 7 1 3256.81 3738.01 233.29 o
-12 8 1 17900.00 17604.70 662.91 o
-10 8 1 8307.09 8324.85 265.69 o
-8 8 1 625.60 741.30 160.89 o
-6 8 1 652.62 837.69 103.71 o
-4 8 1 31113.20 30121.50 494.75 o
-2 8 1 124.53 407.58 115.03 o
0 8 1 22174.10 22030.00 233.76 o
2 8 1 31642.80 31577.00 404.67 o
4 8 1 25109.00 24853.20 437.08 o
6 8 1 8332.82 8620.85 217.83 o
8 8 1 12622.80 12543.80 161.98 o
10 8 1 3965.16 3901.85 174.79 o
12 8 1 2.15 494.68 359.05 <
-11 9 1 18162.60 17745.40 430.65 o
-9 9 1 2536.03 2693.35 164.85 o
-7 9 1 36.65 575.14 119.68 o
-5 9 1 5178.00 5667.37 145.51 o
-3 9 1 5888.96 5903.59 154.78 o
-1 9 1 6995.24 7347.56 174.01 o
1 9 1 12048.10 12260.60 266.12 o
3 9 1 40199.20 40116.80 415.03 o
5 9 1 21492.20 22444.80 502.50 o
7 9 1 1990.60 1992.21 136.93 o
9 9 1 2689.55 2857.52 148.23 o
11 9 1 2310.12 2549.92 300.46 o
-10 10 1 1465.04 1868.73 157.56 o
-8 10 1 9422.26 9874.69 183.97 o
-6 10 1 35036.90 36616.90 693.03 o
-4 10 1 19918.80 20802.70 299.06 o
-2 10 1 17575.80 17714.50 396.62 o
0 10 1 10511.10 10733.90 211.78 o
2 10 1 1374.23 1503.05 113.68 o
4 10 1 12438.20 12020.90 353.81 o
6 10 1 7504.02 8168.08 176.70 o
8 10 1 9518.04 9259.26 278.29 o
10 10 1 13621.40 11992.30 320.01 o
-9 11 1 1280.85 1529.72 144.93 o
-7 11 1 14781.40 15077.90 361.75 o
-5 11 1 9718.93 10353.50 288.22 o
-3 11 1 4145.05 4491.02 173.45 o
-1 11 1 19224.50 20279.70 288.51 o
1 11 1 7418.03 7919.34 140.82 o
3 11 1 12892.00 13105.90 296.07 o
5 11 1 8014.95 7852.94 306.23 o
7 11 1 498.97 518.59 149.59 o
9 11 1 13564.90 12279.30 407.65 o
-8 12 1 984.91 1234.59 148.92 o
-6 12 1 3233.71 3496.76 158.19 o
-4 12 1 3948.87 4040.06 138.90 o
-2 12 1 21129.80 21697.70 319.01 o
0 12 1 7201.80 7584.58 231.85 o
2 12 1 256.76 529.24 140.29 o
4 12 1 5134.37 5472.22 189.38 o
6 12 1 9234.05 8993.52 254.40 o
-5 13 1 12.24 146.94 187.50 <
-3 13 1 39.73 224.74 155.59 <
-1 13 1 12993.50 12910.60 240.34 o
1 13 1 2966.31 3048.87 156.86 o
3 13 1 9613.40 9112.67 369.95 o
5 13 1 3177.12 2558.98 220.01 o
-2 14 1 751.47 928.12 195.46 o
0 14 1 4344.43 3475.12 258.52 o
2 14 1 266.60 950.78 232.71 o
-14 0 2 291.27 1285.21 242.01 o
-12 0 2 663.98 779.19 152.91 o
-10 0 2 2146.14 2531.04 238.62 o
-8 0 2 461360.00 466034.00 4395.30 o
-6 0 2 17354.90 16232.30 260.66 o
-4 0 2 26653.70 25267.00 180.16 o
-2 0 2 34825.50 33645.20 282.61 o
0 0 2 275.18 410.84 259.93 <
2 0 2 59996.80 56035.80 1133.01 o
4 0 2 520412.00 508522.0012543.90 o 6
0 2 36604.60 37255.50 770.58 o 8
0 2 21333.50 21088.80 310.08 o 10
0 2 1400.40 1628.70 180.82 o 12
0 2 2273.77 1655.16 269.88 o -15
1 2 3525.81 3717.33 206.70 o -13
1 2 1188.47 1314.98 174.84 o -11
1 2 3310.91 3219.20 198.71 o -9
1 2 12227.30 12319.30 209.63 o -7
1 2 24739.00 23831.60 184.39 o -5
1 2 9963.75 9957.50 111.33 o -3
1 2 113232.00 115554.00 802.55 o -1
1 2 6286.85 6822.36 194.11 o 1
1 2 4103.84 4446.23 165.90 o 3
1 2 477.27 664.79 140.27 o 5
1 2 95.20 448.80 142.29 o 7
1 2 12.96 18.62 121.01 < 9
1 2 18868.30 18970.60 436.95 o 11
1 2 747.59 1168.12 160.23 o 13
1 2 2407.13 2714.06 255.92 o -14
2 2 45149.40 44180.50 601.88 o -12
2 2 16950.60 16543.90 251.43 o -10
2 2 986.09 1244.50 148.91 o -8
2 2 447.60 416.85 103.71 o -6
2 2 83.49 179.52 83.11 < -4
2 2 42691.20 42133.00 293.84 o -2
2 2 324245.00 347286.00 2578.78 o 0
2 2 1448.33 1368.11 117.61 o 2
2 2 18268.40 17406.80 186.26 o 4
2 2 602.70 735.26 142.93 o 6
2 2 4648.03 4067.36 149.46 o 8
2 2 54676.00 52734.30 394.77 o 10
2 2 46526.00 48161.80 488.32 o 12
2 2 11599.70 12105.50 229.08 o -15
3 2 3653.27 3395.61 204.71 o -13
3 2 16818.20 16560.60 249.49 o -11
3 2 7940.88 7979.79 242.42 o -9
3 2 1692.87 1817.97 120.98 o -7
3 2 5096.74 5211.01 121.54 o -5
3 2 8927.97 8335.41 114.74 o -3
3 2 306.59 396.90 107.04 o -1
3 2 15648.10 15745.10 120.92 o 1
3 2 1827.74 1803.37 134.89 o 3
3 2 27792.30 27072.90 343.70 o 5
3 2 37524.60 36096.40 346.21 o 7
3 2 5133.41 5545.69 162.09 o 9
3 2 5177.21 5907.98 309.62 o 11
3 2 1320.82 1406.70 185.48 o 13
3 2 130.14 681.51 244.01 < -14
4 2 1484.48 1541.64 224.70 o -12
4 2 30.27 293.22 178.86 < -10
4 2 8714.51 8773.90 196.55 o -8
4 2 4157.15 4163.12 154.14 o -6
4 2 5296.86 5337.42 136.14 o -4
4 2 19292.80 18502.50 195.75 o -2
4 2 13232.70 12929.10 144.99 o 0
4 2 4.05 37.23 100.40 < 2
4 2 65044.90 64054.90 403.39 o 4
4 2 168.31 191.48 111.70 < 6
4 2 1032.20 1390.05 107.69 o 8
4 2 2810.17 2618.61 158.85 o 10
4 2 718.55 809.78 142.94 o 12
4 2 22.52 37.90 218.75 < -13
5 2 3041.17 2883.32 154.20 o -11
5 2 8132.55 8040.66 261.03 o -9
5 2 8877.68 8377.53 178.61 o -7
5 2 622.87 751.91 110.36 o -5
5 2 8496.40 8314.11 116.80 o -3
5 2 117202.00 114987.00 988.88 o -1
5 2 234354.00 233588.00 1301.14 o 1
5 2 21983.80 21668.60 233.38 o 3
5 2 5378.03 5227.85 132.16 o 5
5 2 3804.03 3661.03 134.21 o 7
5 2 1976.04 2114.40 135.60 o 9
5 2 284.16 628.97 176.86 o 11
5 2 89686.80 89582.90 974.39 o 13
5 2 385.09 268.61 308.50 < -14
6 2 3.29 448.81 196.81 < -12
6 2 1083.66 1685.97 164.87 o -10
6 2 64397.50 66676.70 1015.65 o -8
6 2 1606.82 1875.88 99.71 o -6
6 2 3553.29 3462.54 105.65 o -4
6 2 772.48 866.22 103.04 o -2
6 2 7652.25 7209.50 113.50 o 0
6 2 32254.20 31497.80 353.74 o 2
6 2 38766.80 38660.40 296.09 o 4
6 2 11016.80 11174.40 227.60 o 6
6 2 23709.00 23832.90 210.65 o 8
6 2 667.71 1246.58 168.87 o 10
6 2 1514.08 1990.35 218.05 o 12
6 2 2669.62 2689.40 142.25 o -13
7 2 375.53 628.30 130.32 o -11
7 2 8429.14 9210.09 126.20 o -9
7 2 69640.90 73232.90 1224.90 o -7
7 2 47142.20 46789.50 671.88 o -5
7 2 21796.90 21501.00 378.86 o -3
7 2 427.98 626.28 119.67 o -1
7 2 496.39 862.96 102.38 o 1
7 2 22211.10 21808.50 262.17 o 3
7 2 23909.40 24796.40 381.37 o 5
7 2 135939.00 134470.00 1201.71 o 7
7 2 11189.20 11523.80 233.69 o 9
7 2 3604.19 4143.85 194.07 o 11
7 2 2352.89 2372.41 157.54 o -12
8 2 792.71 1125.58 124.32 o -10
8 2 752.97 956.04 128.31 o -8
8 2 4178.49 4370.58 138.89 o -6
8 2 52822.50 51662.30 623.30 o -4
8 2 55554.00 54551.40 903.17 o -2
8 2 4165.03 4311.42 108.96 o 0
8 2 13313.50 13179.10 197.02 o 2
8 2 22115.90 22199.60 303.41 o 4
8 2 9121.12 9128.53 180.60 o 6
8 2 15903.80 16038.10 299.89 o 8
8 2 4801.27 5383.21 160.81 o 10
8 2 1956.63 2087.99 140.93 o -11
9 2 9595.84 10168.60 431.72 o -9
9 2 2668.11 2950.54 133.60 o -7
9 2 8.74 345.75 111.04 o -5
9 2 18746.80 19150.70 367.36 o -3
9 2 6383.87 6356.26 144.81 o -1
9 2 16514.20 16603.10 383.99 o 1
9 2 12213.10 12164.40 286.04 o 3
9 2 837.17 1112.24 117.67 o 5
9 2 10389.20 10254.00 260.28 o 7
9 2 16126.80 16783.20 333.13 o 9
9 2 1077.47 1468.59 156.23 o -10
10 2 554.59 1026.54 126.99 o -8
10 2 14991.30 15661.00 473.23 o -6
10 2 148.14 509.97 173.54 < -4
10 2 747.66 1100.30 175.52 o -2
10 2 19810.20 19977.50 269.87 o 0
10 2 14095.70 14731.20 270.75 o 2
10 2 2216.99 2756.52 150.22 o 4
10 2 12941.80 12945.50 303.36 o 6
10 2 1472.43 1836.13 203.42 o 8
10 2 5242.84 5068.22 309.66 o -9
11 2 811.73 1205.36 132.97 o -7
11 2 1273.58 1338.25 128.97 o -5
11 2 10411.30 10923.10 237.07 o -3
11 2 8921.98 9434.27 164.04 o -1
11 2 1232.59 1196.63 126.98 o 1
11 2 14164.20 15067.60 329.20 o 3
11 2 305.42 416.21 144.28 < 5
11 2 1757.44 2453.65 168.85 o 7
11 2 3684.83 4371.93 176.79 o -8
12 2 481.71 603.03 148.93 o -6
12 2 23.16 336.44 158.25 < -4
12 2 501.87 741.32 135.63 o -2
12 2 25592.60 26543.00 439.49 o 0
12 2 2800.14 3013.66 246.60 o 2
12 2 968.77 1311.70 146.26 o 4
12 2 1114.83 1228.58 166.87 o 6
12 2 431.72 1081.08 166.88 o -5
13 2 766.81 996.60 166.21 o -3
13 2 187.29 377.65 153.59 < -1
13 2 877.87 773.20 152.91 o 1
13 2 2817.17 2501.90 162.85 o 3
13 2 14227.30 12655.80 375.74 o -2
14 2 4254.21 3266.48 223.97 o 0
14 2 3528.78 2940.40 244.59 o -15
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