#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2204605.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_2204605_Fobs
loop_
_publ_author_name
'Moreno-Fuquen, Rodolfo'
'Cifuentes, Olga'
'Naranjo, Jaime Valderrama'
'Serratto, Luis Manuel'
'Kennedy, Alan R.'
_publ_section_title
;
 Dichlorobis(triphenylphosphine oxide-\k<i>O</i>)nickel(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1861
_journal_page_last               m1862
_journal_volume                  60
_journal_year                    2004
_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                   20.6356
_cell_length_b                   32.5388
_cell_length_c                   9.7240
_exptl_crystal_F_000             2832.00
_reflns_d_resolution_high        0.7704
_[local]_cod_data_source_file    ac6138Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' angel5 123K colourless prism 0.35x0.30x0.15mm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            557.11
_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+1/4, -y+1/4, 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+1/4, -y+3/4, 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+3/4, -y+1/4, 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+3/4, -y+3/4, 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
4 0 -12 4545.13 3758.61 548.32 o
8 0 -12 7549.12 7754.00 757.68 o
2 2 -12 2579.80 2368.07 260.25 o
4 2 -12 3989.85 3385.65 407.46 o
6 2 -12 9021.41 10501.84 670.72 o
8 2 -12 1365.26 1617.52 372.74 o
2 4 -12 6356.49 6541.64 412.51 o
4 4 -12 5808.07 5448.47 417.96 o
6 4 -12 481.10 601.03 286.49 o
2 6 -12 2239.89 1519.95 239.65 o
4 6 -12 1579.05 1457.96 342.54 o
6 6 -12 12210.64 11883.76 864.56 o
2 8 -12 451.59 249.99 155.84 o
4 8 -12 5269.68 5180.71 478.87 o
6 8 -12 392.81 101.09 294.15 o
2 10 -12 3525.00 3234.70 386.48 o
4 10 -12 2177.14 2182.86 608.94 o
2 12 -12 1313.75 1313.61 254.50 o
1 1 -11 8922.10 8296.42 302.01 o
3 1 -11 5121.31 5061.27 258.68 o
5 1 -11 2892.78 2837.52 232.65 o
7 1 -11 1108.15 855.78 189.85 o
9 1 -11 3140.75 3025.54 340.17 o
11 1 -11 6126.25 6346.14 499.14 o
13 1 -11 6473.54 4971.92 529.88 o
1 3 -11 270.25 415.76 124.57 o
3 3 -11 8157.46 8042.96 279.48 o
5 3 -11 3613.29 3313.95 229.78 o
7 3 -11 4535.05 4814.79 453.75 o
9 3 -11 7271.07 8135.57 551.71 o
11 3 -11 4258.17 3988.20 378.69 o
13 3 -11 2227.91 2275.40 464.99 o
1 5 -11 2396.04 2592.61 371.85 o
3 5 -11 1159.32 938.85 133.79 o
5 5 -11 9295.41 9819.14 413.15 o
7 5 -11 14149.90 14238.15 604.64 o
9 5 -11 2298.79 2449.98 337.39 o
11 5 -11 3804.87 4629.49 435.56 o
1 7 -11 785.29 1053.01 208.63 o
3 7 -11 5781.51 5789.12 268.16 o
5 7 -11 3849.04 3816.75 261.63 o
7 7 -11 8129.61 9212.73 470.12 o
9 7 -11 10522.32 12017.59 854.80 o
11 7 -11 938.89 644.36 349.85 o
1 9 -11 4319.58 4163.01 206.59 o
3 9 -11 3886.28 3994.62 258.86 o
5 9 -11 9199.41 9734.19 455.73 o
7 9 -11 5637.61 6030.06 744.02 o
9 9 -11 1037.96 1363.44 367.52 o
11 9 -11 1667.48 1943.43 394.60 o
1 11 -11 4904.92 4624.10 228.46 o
3 11 -11 10250.74 11142.49 427.80 o
5 11 -11 743.00 855.83 228.53 o
7 11 -11 469.04 302.65 216.80 o
9 11 -11 1328.64 1307.72 323.79 o
11 11 -11 54.31 -340.24 340.24 o
1 13 -11 7750.80 7840.23 348.41 o
3 13 -11 1531.17 1733.10 190.02 o
5 13 -11 1230.09 1478.61 257.86 o
7 13 -11 109.33 -16.58 197.88 o
9 13 -11 499.35 565.19 710.46 o
1 15 -11 9351.81 9922.71 781.38 o
3 15 -11 7044.05 7200.75 353.41 o
5 15 -11 122.02 15.71 369.25 o
7 15 -11 534.59 442.99 247.27 o
9 15 -11 1828.75 995.57 317.16 o
1 17 -11 2426.02 2095.70 251.34 o
3 17 -11 5886.49 6376.39 404.10 o
5 17 -11 1878.89 1528.83 233.88 o
7 17 -11 1554.46 1657.14 433.65 o
1 19 -11 1785.66 1774.46 466.01 o
3 19 -11 1397.28 1333.52 233.17 o
5 19 -11 4140.13 3807.89 534.42 o
2 0 -10 9739.42 10114.05 356.61 o
6 0 -10 22483.46 24617.44 1006.89 o
10 0 -10 7956.10 8115.96 440.45 o
14 0 -10 17647.51 18649.88 1314.38 o
2 2 -10 2951.16 2908.15 134.97 o
4 2 -10 4679.98 4523.57 200.66 o
6 2 -10 1002.04 1269.30 263.73 o
8 2 -10 12784.08 12871.02 593.15 o
10 2 -10 2393.79 2687.97 451.84 o
12 2 -10 23024.47 24029.70 1109.83 o
14 2 -10 215.24 670.36 295.27 o
16 2 -10 3046.57 2776.18 408.44 o
2 4 -10 9455.95 9088.03 256.24 o
4 4 -10 636.93 816.10 115.49 o
6 4 -10 2990.57 2707.36 176.67 o
8 4 -10 2438.51 2278.71 200.45 o
10 4 -10 5578.08 5089.59 274.04 o
12 4 -10 203.30 373.37 255.17 o
14 4 -10 4815.90 4789.69 440.11 o
16 4 -10 1438.83 1367.37 416.22 o
2 6 -10 637.24 811.05 125.67 o
4 6 -10 6452.01 6257.70 281.73 o
6 6 -10 457.03 693.09 142.72 o
8 6 -10 3119.54 2863.09 197.56 o
10 6 -10 2152.10 1985.88 203.68 o
12 6 -10 6544.96 6659.19 515.60 o
14 6 -10 833.04 1136.18 369.64 o
2 8 -10 6262.51 6122.93 681.54 o
4 8 -10 13155.77 13935.24 579.31 o
6 8 -10 16106.67 16233.86 580.96 o
8 8 -10 1445.88 1459.83 155.88 o
10 8 -10 6103.11 5834.23 538.85 o
12 8 -10 1181.54 1538.72 294.33 o
14 8 -10 2374.83 2076.63 328.49 o
2 10 -10 9296.90 10474.38 562.62 o
4 10 -10 8221.68 7777.59 260.68 o
6 10 -10 712.70 255.65 133.15 o
8 10 -10 8639.30 9095.73 351.95 o
10 10 -10 5033.71 4734.97 314.91 o
12 10 -10 2588.10 2696.58 394.25 o
14 10 -10 5843.64 7010.37 539.65 o
2 12 -10 2745.87 2331.15 150.52 o
4 12 -10 9451.36 10253.93 328.07 o
6 12 -10 6276.88 5916.62 279.57 o
8 12 -10 2389.63 2442.05 202.42 o
10 12 -10 4468.56 4367.00 304.67 o
12 12 -10 1291.81 1109.64 247.16 o
14 12 -10 2497.10 3067.94 500.07 o
2 14 -10 798.55 798.01 164.21 o
4 14 -10 7997.41 7336.97 263.60 o
6 14 -10 57.36 -30.46 145.82 o
8 14 -10 3874.34 3321.88 321.43 o
10 14 -10 1210.49 1471.79 222.79 o
12 14 -10 3268.25 3050.14 571.70 o
2 16 -10 9408.66 9291.10 320.11 o
4 16 -10 2584.68 2446.86 377.55 o
6 16 -10 3628.31 3480.15 270.57 o
8 16 -10 71.38 546.88 209.13 o
10 16 -10 2280.56 1895.44 345.75 o
12 16 -10 428.70 516.20 302.38 o
2 18 -10 5556.75 6190.61 294.45 o
4 18 -10 5366.06 4952.40 264.41 o
6 18 -10 391.20 284.28 220.40 o
8 18 -10 4259.80 3688.41 434.16 o
10 18 -10 2642.07 2710.09 345.53 o
2 20 -10 4582.50 4738.22 331.06 o
4 20 -10 6745.00 7151.37 457.79 o
6 20 -10 15433.74 16463.61 660.72 o
8 20 -10 62.67 209.01 193.37 o
10 20 -10 2807.05 2529.76 419.07 o
2 22 -10 52.03 92.40 158.53 o
4 22 -10 6468.24 6389.55 351.07 o
6 22 -10 151.28 322.04 225.02 o
8 22 -10 8842.22 8843.09 1228.50 o
2 24 -10 1537.41 1480.00 209.69 o
4 24 -10 414.25 378.47 610.58 o
1 1 -9 10953.48 10586.63 234.26 o
3 1 -9 9442.81 9506.45 238.47 o
5 1 -9 4898.72 5039.20 322.59 o
7 1 -9 10742.08 11008.65 325.47 o
9 1 -9 2355.33 2303.71 165.30 o
11 1 -9 3451.20 3583.78 237.16 o
13 1 -9 8230.03 8080.63 569.63 o
15 1 -9 1411.57 1454.41 458.89 o
17 1 -9 1151.65 1546.71 318.88 o
1 3 -9 12031.53 12184.36 473.24 o
3 3 -9 22689.49 23281.37 866.40 o
5 3 -9 1443.70 1535.58 178.09 o
7 3 -9 3807.56 4229.27 224.02 o
9 3 -9 14352.76 13716.66 444.83 o
11 3 -9 2086.11 2098.76 162.55 o
13 3 -9 9755.94 9399.91 661.92 o
15 3 -9 8182.47 8313.22 540.07 o
17 3 -9 4139.30 4000.21 376.24 o
1 5 -9 3790.72 3951.56 142.95 o
3 5 -9 5981.07 5645.20 173.21 o
5 5 -9 2293.13 2162.55 138.51 o
7 5 -9 1409.29 1026.04 127.77 o
9 5 -9 5503.06 5120.45 237.02 o
11 5 -9 6985.00 6980.60 273.92 o
13 5 -9 9871.75 10165.43 377.71 o
15 5 -9 2555.30 2780.83 317.44 o
17 5 -9 1744.86 1516.06 303.97 o
1 7 -9 26764.98 28494.78 534.15 o
3 7 -9 618.74 663.54 202.94 o
5 7 -9 9786.15 9738.42 291.66 o
7 7 -9 538.72 583.82 136.72 o
9 7 -9 2458.79 2174.21 280.14 o
11 7 -9 17903.32 18969.84 541.60 o
13 7 -9 9019.22 9094.75 340.59 o
15 7 -9 3713.50 4317.73 395.00 o
17 7 -9 711.55 344.34 241.40 o
1 9 -9 2854.49 2935.93 161.06 o
3 9 -9 3216.31 3098.42 362.68 o
5 9 -9 874.11 783.25 100.33 o
7 9 -9 1199.33 1158.34 197.63 o
9 9 -9 7084.47 6775.70 259.90 o
11 9 -9 9012.60 8584.44 308.66 o
13 9 -9 4018.14 4301.50 265.54 o
15 9 -9 6583.84 5714.83 450.46 o
17 9 -9 644.26 649.70 272.70 o
1 11 -9 5412.62 5026.73 166.54 o
3 11 -9 495.77 437.58 249.14 o
5 11 -9 13243.62 13339.16 456.52 o
7 11 -9 11109.30 11087.29 363.55 o
9 11 -9 604.85 711.18 141.74 o
11 11 -9 2996.32 2724.00 249.94 o
13 11 -9 840.80 727.40 187.29 o
15 11 -9 1059.98 767.68 483.39 o
17 11 -9 6739.15 6884.06 521.47 o
1 13 -9 1154.73 1304.65 112.53 o
3 13 -9 4098.52 4563.39 182.97 o
5 13 -9 10391.14 10121.14 297.25 o
7 13 -9 5753.89 6283.96 416.51 o
9 13 -9 6322.74 6542.68 689.35 o
11 13 -9 565.58 376.82 156.74 o
13 13 -9 32.17 308.27 196.03 o
15 13 -9 6979.26 7538.65 487.88 o
1 15 -9 173.10 141.83 130.78 o
3 15 -9 8670.89 8299.29 378.97 o
5 15 -9 15807.88 16756.88 431.74 o
7 15 -9 19529.45 19831.86 619.39 o
9 15 -9 3763.97 3769.70 222.52 o
11 15 -9 1500.58 1311.91 193.63 o
13 15 -9 491.76 461.87 241.81 o
15 15 -9 889.93 74.25 409.45 o
1 17 -9 4539.70 4069.57 142.17 o
3 17 -9 5358.72 4934.32 195.67 o
5 17 -9 6962.14 7114.91 350.40 o
7 17 -9 15291.62 15164.57 469.63 o
9 17 -9 5089.45 4969.49 255.28 o
11 17 -9 1476.19 976.14 221.60 o
13 17 -9 688.86 244.93 263.04 o
15 17 -9 1207.35 1320.75 393.55 o
1 19 -9 207.87 317.73 103.06 o
3 19 -9 9907.95 10418.02 273.79 o
5 19 -9 40.79 -7.73 112.68 o
7 19 -9 1595.70 1508.59 370.75 o
9 19 -9 6406.19 6438.06 381.66 o
11 19 -9 2510.97 2460.36 242.44 o
13 19 -9 953.15 571.69 351.42 o
1 21 -9 6776.67 6670.66 244.29 o
3 21 -9 4206.42 3874.27 180.64 o
5 21 -9 7211.63 6984.13 327.35 o
7 21 -9 4249.76 3955.52 288.30 o
9 21 -9 2778.87 2490.27 255.82 o
11 21 -9 5709.03 5762.91 503.71 o
13 21 -9 2854.35 2234.42 407.48 o
1 23 -9 4229.82 4623.48 293.36 o
3 23 -9 4020.14 4102.30 244.39 o
5 23 -9 5366.59 4926.62 546.62 o
7 23 -9 5086.23 5191.72 480.45 o
9 23 -9 297.29 700.38 230.71 o
11 23 -9 3382.67 3372.96 381.37 o
1 25 -9 2586.28 2728.64 212.24 o
3 25 -9 3087.17 3232.89 226.39 o
5 25 -9 3743.04 4317.38 352.33 o
7 25 -9 2978.18 2494.55 452.22 o
9 25 -9 2806.26 2196.67 391.06 o
1 27 -9 1954.54 2317.14 213.28 o
3 27 -9 3902.99 4471.91 294.91 o
5 27 -9 3083.36 2844.99 585.19 o
7 27 -9 2120.39 2295.38 378.10 o
1 29 -9 2778.56 2050.46 490.96 o
3 29 -9 155.25 -157.47 225.99 o
4 0 -8 31828.46 32582.06 732.67 o
8 0 -8 5836.25 5360.16 209.88 o
12 0 -8 1832.85 2253.77 208.31 o
16 0 -8 9323.98 8832.08 459.75 o
20 0 -8 3745.90 3201.40 515.55 o
2 2 -8 14845.08 15182.93 233.95 o
4 2 -8 8200.99 7543.54 182.93 o
6 2 -8 2334.99 2660.93 95.43 o
8 2 -8 12327.82 11407.60 235.57 o
10 2 -8 5555.63 5627.62 210.09 o
12 2 -8 1399.55 1289.24 138.36 o
14 2 -8 12242.97 11985.29 364.98 o
16 2 -8 6544.16 7175.69 336.50 o
18 2 -8 4805.83 4824.75 376.15 o
20 2 -8 1318.29 1229.74 551.29 o
2 4 -8 16635.04 16100.19 234.49 o
4 4 -8 2751.05 2790.12 89.87 o
6 4 -8 132.91 165.85 119.77 o
8 4 -8 4347.04 4097.09 296.60 o
10 4 -8 9423.62 9744.86 382.61 o
12 4 -8 24425.03 24535.48 598.53 o
14 4 -8 10027.07 9959.91 336.68 o
16 4 -8 3896.23 3948.97 236.06 o
18 4 -8 1813.46 1611.75 310.16 o
20 4 -8 524.23 133.56 258.05 o
2 6 -8 16632.09 16392.95 617.35 o
4 6 -8 2427.67 2128.78 100.97 o
6 6 -8 131.66 91.07 74.91 o
8 6 -8 2388.51 2301.28 206.56 o
10 6 -8 18464.96 18538.82 463.33 o
12 6 -8 1299.18 830.85 158.24 o
14 6 -8 12544.49 12333.19 368.10 o
16 6 -8 5380.76 6207.53 271.87 o
18 6 -8 252.97 293.07 279.78 o
20 6 -8 59.03 404.77 341.17 o
2 8 -8 3787.24 3888.83 91.07 o
4 8 -8 15520.16 15389.97 271.34 o
6 8 -8 2026.11 1918.30 280.14 o
8 8 -8 10864.10 12162.74 315.68 o
10 8 -8 306.39 429.95 128.56 o
12 8 -8 22175.14 22243.59 569.03 o
14 8 -8 1076.56 978.76 183.46 o
16 8 -8 1674.80 1550.02 190.28 o
18 8 -8 2646.35 2935.16 302.90 o
20 8 -8 1252.08 1182.29 324.61 o
2 10 -8 18881.64 19213.03 692.03 o
4 10 -8 651.58 622.13 85.82 o
6 10 -8 22126.79 22271.39 543.36 o
8 10 -8 8114.36 7377.05 303.89 o
10 10 -8 9095.86 9287.12 304.48 o
12 10 -8 5437.24 5246.15 219.03 o
14 10 -8 5706.79 5594.18 283.83 o
16 10 -8 447.74 164.35 206.59 o
18 10 -8 7241.43 7683.02 505.67 o
2 12 -8 3058.30 2869.19 135.47 o
4 12 -8 3707.61 3632.84 603.46 o
6 12 -8 208.94 254.44 216.79 o
8 12 -8 7880.83 7950.49 260.42 o
10 12 -8 2489.77 2995.66 198.38 o
12 12 -8 478.35 437.89 188.72 o
14 12 -8 855.25 946.34 255.20 o
16 12 -8 5062.18 4524.44 306.07 o
18 12 -8 136.21 -139.30 248.71 o
2 14 -8 1415.50 1239.05 81.94 o
4 14 -8 1736.72 1856.25 122.86 o
6 14 -8 33561.92 35379.82 751.11 o
8 14 -8 253.24 276.70 135.45 o
10 14 -8 4329.30 4237.27 209.21 o
12 14 -8 741.72 617.81 242.04 o
14 14 -8 321.52 380.91 140.36 o
16 14 -8 1137.46 1180.24 456.38 o
18 14 -8 19888.83 22042.51 1104.08 o
2 16 -8 1701.57 1679.29 77.74 o
4 16 -8 12243.08 12239.46 302.80 o
6 16 -8 1671.32 1812.90 148.19 o
8 16 -8 38950.93 41118.15 1014.76 o
10 16 -8 466.06 424.10 213.24 o
12 16 -8 478.10 317.45 252.70 o
14 16 -8 751.72 499.59 196.30 o
16 16 -8 10292.62 9213.25 564.41 o
18 16 -8 636.56 499.26 288.72 o
2 18 -8 1479.92 1133.60 138.63 o
4 18 -8 9548.53 9863.43 242.68 o
6 18 -8 17586.34 18844.41 499.44 o
8 18 -8 2286.56 2384.49 165.87 o
10 18 -8 2591.33 2454.86 186.55 o
12 18 -8 766.54 1264.08 226.05 o
14 18 -8 1123.44 662.61 200.23 o
16 18 -8 947.06 1204.29 282.77 o
2 20 -8 1837.10 1777.77 108.00 o
4 20 -8 2785.23 2583.01 135.30 o
6 20 -8 987.26 1045.99 308.87 o
8 20 -8 2342.04 2151.37 285.82 o
10 20 -8 204.95 388.83 143.36 o
12 20 -8 9684.06 10128.82 407.59 o
14 20 -8 2616.11 2393.01 316.50 o
16 20 -8 2079.64 2104.33 378.15 o
2 22 -8 19315.46 19688.82 435.69 o
4 22 -8 2245.61 2048.01 126.67 o
6 22 -8 1706.61 1806.78 161.76 o
8 22 -8 11740.05 12917.18 399.89 o
10 22 -8 8096.04 8330.46 352.68 o
12 22 -8 2518.61 2417.57 264.54 o
14 22 -8 4087.75 3283.94 403.67 o
2 24 -8 13357.13 14159.32 432.61 o
4 24 -8 10797.57 10955.74 298.93 o
6 24 -8 2284.15 2274.12 159.90 o
8 24 -8 7173.52 7195.66 313.51 o
10 24 -8 7457.84 8909.23 393.39 o
12 24 -8 1971.77 2310.69 343.79 o
14 24 -8 3056.39 2997.57 687.22 o
2 26 -8 1530.56 1642.11 134.07 o
4 26 -8 6491.83 6767.13 254.59 o
6 26 -8 15661.57 15805.60 489.23 o
8 26 -8 3183.95 3203.71 377.93 o
10 26 -8 567.95 182.11 195.51 o
12 26 -8 2338.58 2411.99 385.26 o
2 28 -8 279.25 440.69 170.38 o
4 28 -8 10592.20 11434.86 459.25 o
6 28 -8 877.35 865.37 168.04 o
8 28 -8 4787.31 4165.93 347.78 o
10 28 -8 202.23 457.03 332.26 o
2 30 -8 3619.05 2989.08 262.75 o
4 30 -8 95.91 -41.94 267.96 o
6 30 -8 3910.24 3513.38 453.34 o
8 30 -8 1123.35 1316.06 351.09 o
2 32 -8 275.04 946.78 270.10 o
4 32 -8 1308.90 661.12 277.25 o
1 1 -7 38155.93 37810.38 429.90 o
3 1 -7 10898.68 11444.87 146.42 o
5 1 -7 13810.06 13760.13 217.73 o
7 1 -7 18399.01 18009.69 280.33 o
9 1 -7 5910.87 6360.93 255.44 o
11 1 -7 27993.82 27521.83 869.46 o
13 1 -7 5248.23 5406.55 205.93 o
15 1 -7 1011.74 1075.46 146.80 o
17 1 -7 980.38 1015.28 149.99 o
19 1 -7 9057.10 8921.30 354.93 o
21 1 -7 1077.76 1308.31 268.68 o
1 3 -7 22509.33 22203.75 314.54 o
3 3 -7 23203.17 23274.16 322.05 o
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