#------------------------------------------------------------------------------
#$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $
#$Revision: 74188 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/86/2018661.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_2018661_Fobs
loop_
_publ_author_name
'Schnitzler, Silvia'
'\,Serb, Mihaela-Diana'
'Englert, Ulli'
_publ_section_title
;
 The weakly coordinating perchlorate group in
 bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-\k^2^<i>N</i>,<i>N</i>')bis(perchlorato-\k<i>O</i>)copper(II)
 studied at 100, 250 and 400K
;
_journal_coeditor_code           SK3443
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m251
_journal_page_last               m254
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 95.358
_cell_angle_gamma                90.000
_cell_length_a                   8.5395
_cell_length_b                   13.543
_cell_length_c                   14.743
_exptl_crystal_F_000             908.00
_reflns_d_resolution_high        0.7978
_[local]_cod_data_source_file    sk3443Iasup2.hkl
_[local]_cod_data_source_block   Ia
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 100    - SHELXL'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            267.23
_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+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
0 0 -18 1394.05 1321.36 330.14 o
2 0 -18 4052.44 3982.81 552.42 o
-1 1 -18 192.63 357.34 152.93 o
1 1 -18 506.95 549.99 154.82 o
3 1 -18 1015.30 822.46 175.04 o
0 2 -18 174.32 142.21 120.77 o
2 2 -18 179.71 47.89 123.92 o
1 3 -18 636.86 612.17 177.95 o
-3 1 -17 827.29 975.22 199.40 o
-1 1 -17 854.59 1363.21 239.66 o
1 1 -17 302.30 309.62 140.79 o
3 1 -17 714.04 572.55 146.72 o
5 1 -17 465.80 344.56 140.70 o
-2 2 -17 150.93 274.65 110.99 o
0 2 -17 332.22 361.43 186.25 o
2 2 -17 704.07 680.01 171.81 o
4 2 -17 147.87 184.51 109.39 o
-1 3 -17 943.12 734.00 176.94 o
1 3 -17 780.61 662.29 188.96 o
3 3 -17 837.51 534.67 149.45 o
-2 4 -17 925.99 826.25 267.73 o
0 4 -17 246.46 150.72 99.11 o
2 4 -17 519.92 345.07 198.25 o
4 4 -17 349.61 419.55 172.70 o
-1 5 -17 694.51 601.04 170.55 o
1 5 -17 672.20 565.00 145.31 o
3 5 -17 795.88 589.98 157.69 o
0 6 -17 239.21 252.87 90.18 o
2 6 -17 77.09 57.00 93.43 o
-4 0 -16 3183.00 2901.81 511.02 o
-2 0 -16 4238.40 4071.40 584.64 o
0 0 -16 2785.42 2346.43 420.43 o
2 0 -16 5704.97 5131.73 566.79 o
4 0 -16 3104.52 3359.65 435.84 o
6 0 -16 1490.91 1831.86 342.80 o
-3 1 -16 655.81 579.08 165.78 o
-1 1 -16 696.17 341.28 163.99 o
1 1 -16 222.81 243.74 90.40 o
3 1 -16 590.24 616.58 141.19 o
5 1 -16 954.55 733.49 177.29 o
-4 2 -16 63.39 -83.68 83.68 o
-2 2 -16 206.21 37.62 96.55 o
0 2 -16 91.40 -3.94 72.09 o
2 2 -16 123.46 198.56 93.50 o
4 2 -16 79.74 72.03 139.70 o
6 2 -16 80.39 -64.09 100.60 o
-3 3 -16 797.76 1004.47 220.14 o
-1 3 -16 1656.04 1774.70 284.36 o
1 3 -16 1368.79 1266.92 488.39 o
3 3 -16 1964.38 1880.07 246.72 o
5 3 -16 1213.36 1042.77 190.95 o
-2 4 -16 3742.66 2787.35 464.24 o
0 4 -16 3623.66 3528.66 359.62 o
2 4 -16 6620.85 5732.13 426.27 o
4 4 -16 2834.70 2803.63 299.39 o
-3 5 -16 582.29 579.15 440.32 o
-1 5 -16 1287.68 1449.53 244.80 o
1 5 -16 797.79 583.79 148.72 o
3 5 -16 917.53 1201.68 194.34 o
5 5 -16 1309.66 1688.23 344.58 o
-2 6 -16 365.00 284.33 117.00 o
0 6 -16 30.86 77.17 166.55 o
2 6 -16 84.74 161.40 91.53 o
4 6 -16 94.29 -18.37 107.70 o
-1 7 -16 1430.82 1635.22 284.84 o
1 7 -16 1688.33 1790.84 250.28 o
3 7 -16 1370.96 1242.95 202.68 o
0 8 -16 1981.84 2112.93 173.08 o
2 8 -16 2052.00 2350.79 447.95 o
-5 1 -15 751.47 592.54 231.62 o
-3 1 -15 562.50 756.85 187.15 o
-1 1 -15 630.30 413.30 120.79 o
1 1 -15 95.55 97.84 65.56 o
3 1 -15 244.49 228.35 75.17 o
5 1 -15 715.37 700.25 147.86 o
-4 2 -15 920.12 817.89 319.80 o
-2 2 -15 790.26 665.20 182.77 o
0 2 -15 634.20 553.45 143.20 o
2 2 -15 636.66 496.12 122.92 o
4 2 -15 1006.50 940.88 181.99 o
6 2 -15 958.61 1085.42 182.92 o
-5 3 -15 54.37 61.83 103.02 o
-3 3 -15 526.52 403.04 168.14 o
-1 3 -15 564.04 650.79 96.79 o
1 3 -15 259.20 276.43 106.25 o
3 3 -15 1083.16 996.11 165.71 o
5 3 -15 420.67 477.19 133.51 o
-4 4 -15 156.90 12.50 89.82 o
-2 4 -15 32.50 -23.11 47.71 o
0 4 -15 666.28 833.93 197.18 o
2 4 -15 57.71 -4.19 77.40 o
4 4 -15 26.79 -27.52 67.85 o
6 4 -15 125.59 221.77 163.70 o
-3 5 -15 48.74 -21.12 60.79 o
-1 5 -15 1125.84 1219.69 140.96 o
1 5 -15 890.53 955.41 179.17 o
3 5 -15 174.15 289.89 110.43 o
5 5 -15 408.42 647.30 143.85 o
-4 6 -15 87.56 74.63 119.64 o
-2 6 -15 378.13 286.74 68.73 o
0 6 -15 1299.68 1384.59 184.82 o
2 6 -15 523.78 688.79 137.96 o
4 6 -15 582.11 582.75 131.34 o
-3 7 -15 1015.17 1279.12 161.19 o
-1 7 -15 563.83 553.84 89.95 o
1 7 -15 735.21 779.52 134.54 o
3 7 -15 1388.62 1446.31 211.14 o
5 7 -15 132.75 -67.53 277.51 o
-2 8 -15 122.29 162.99 66.45 o
0 8 -15 681.80 641.09 95.35 o
2 8 -15 431.99 480.24 133.38 o
4 8 -15 530.82 690.27 242.66 o
-1 9 -15 956.36 905.45 119.48 o
1 9 -15 502.10 479.89 138.39 o
3 9 -15 496.33 561.47 148.02 o
-6 0 -14 963.91 777.45 259.18 o
-4 0 -14 5937.45 4467.16 619.24 o
-2 0 -14 2203.90 1828.08 376.50 o
0 0 -14 2655.49 2362.65 384.65 o
2 0 -14 2875.56 2353.91 349.25 o
4 0 -14 2759.23 2537.46 353.32 o
6 0 -14 1326.85 1475.42 284.80 o
-5 1 -14 2695.47 2348.90 309.88 o
-3 1 -14 3317.29 2713.92 336.98 o
-1 1 -14 4080.87 3887.20 358.38 o
1 1 -14 5108.17 4848.50 1064.85 o
3 1 -14 2735.59 2520.30 254.32 o
5 1 -14 3226.09 3481.08 291.91 o
7 1 -14 1286.82 1392.15 340.36 o
-6 2 -14 111.41 52.19 101.03 o
-4 2 -14 227.15 85.85 138.85 o
-2 2 -14 500.62 392.81 132.55 o
0 2 -14 1237.38 892.78 169.54 o
2 2 -14 694.60 609.62 123.22 o
4 2 -14 929.89 794.94 173.99 o
6 2 -14 409.86 330.98 107.09 o
-5 3 -14 1688.96 1426.86 308.43 o
-3 3 -14 1381.45 1293.20 226.60 o
-1 3 -14 1982.44 1924.82 163.52 o
1 3 -14 4603.34 4272.81 344.30 o
3 3 -14 1668.49 1591.70 159.71 o
5 3 -14 2604.52 2836.84 285.80 o
7 3 -14 1947.50 2080.09 248.36 o
-4 4 -14 2325.12 2235.19 308.69 o
-2 4 -14 909.29 1003.20 129.78 o
0 4 -14 1673.16 1986.07 341.74 o
2 4 -14 1932.92 2288.82 195.80 o
4 4 -14 2016.70 2006.89 186.11 o
6 4 -14 898.81 1189.20 266.03 o
-5 5 -14 1200.19 1299.04 237.53 o
-3 5 -14 1689.99 1663.04 171.69 o
-1 5 -14 2991.33 3129.05 189.65 o
1 5 -14 3283.88 3200.45 269.27 o
3 5 -14 3200.15 3084.36 236.78 o
5 5 -14 3015.28 3246.46 304.14 o
-4 6 -14 31.98 63.00 110.92 o
-2 6 -14 629.83 517.42 83.13 o
0 6 -14 2317.65 2065.61 202.74 o
2 6 -14 266.76 243.78 91.66 o
4 6 -14 374.84 227.43 105.92 o
6 6 -14 134.54 202.66 112.89 o
-3 7 -14 997.04 1099.31 320.50 o
-1 7 -14 2207.15 2308.31 177.34 o
1 7 -14 3336.70 3486.84 294.07 o
3 7 -14 1479.70 1559.97 180.12 o
5 7 -14 1158.23 1048.24 179.33 o
-4 8 -14 1044.47 1015.82 166.65 o
-2 8 -14 697.73 597.41 96.34 o
0 8 -14 1478.00 1548.01 141.99 o
2 8 -14 1383.46 1340.88 237.83 o
4 8 -14 802.89 906.04 170.32 o
-3 9 -14 841.33 702.12 254.11 o
-1 9 -14 680.09 744.88 102.86 o
1 9 -14 652.97 937.60 176.80 o
3 9 -14 1212.48 1025.86 233.25 o
-2 10 -14 371.28 453.49 103.43 o
0 10 -14 935.12 983.33 135.88 o
2 10 -14 74.92 -10.54 85.79 o
1 11 -14 358.25 377.85 97.33 o
-5 1 -13 566.60 361.18 121.06 o
-3 1 -13 348.56 301.10 142.85 o
-1 1 -13 292.96 167.45 84.36 o
1 1 -13 1105.79 755.08 143.26 o
3 1 -13 361.77 227.60 77.86 o
5 1 -13 1250.42 1394.14 151.27 o
7 1 -13 696.99 873.25 150.05 o
-6 2 -13 554.90 553.62 450.13 o
-4 2 -13 2110.37 1777.69 262.32 o
-2 2 -13 3214.93 3407.41 200.61 o
0 2 -13 3992.50 3637.80 270.05 o
2 2 -13 1751.23 2249.70 323.16 o
4 2 -13 5420.10 5839.85 270.50 o
6 2 -13 3141.17 3649.45 234.98 o
8 2 -13 983.70 1256.10 190.21 o
-5 3 -13 574.45 530.44 157.86 o
-3 3 -13 2242.57 2452.16 214.80 o
-1 3 -13 419.78 414.36 84.73 o
1 3 -13 79.82 69.33 78.86 o
3 3 -13 2175.74 2264.97 180.96 o
5 3 -13 379.23 363.75 81.24 o
7 3 -13 0.78 -73.44 162.33 o
-6 4 -13 27.63 67.99 99.31 o
-4 4 -13 93.73 147.99 63.41 o
-2 4 -13 323.50 326.64 67.98 o
0 4 -13 412.45 283.92 120.93 o
2 4 -13 885.35 692.81 107.25 o
4 4 -13 310.54 314.70 79.87 o
6 4 -13 2.63 10.26 62.15 o
-5 5 -13 813.51 457.73 147.16 o
-3 5 -13 959.90 1074.80 140.43 o
-1 5 -13 1345.92 1223.47 118.00 o
1 5 -13 1536.38 1769.04 174.93 o
3 5 -13 539.47 419.17 146.11 o
5 5 -13 2137.54 2149.83 248.53 o
7 5 -13 303.95 220.25 104.67 o
-4 6 -13 1933.59 2153.96 187.56 o
-2 6 -13 2102.21 2070.42 159.28 o
0 6 -13 1915.85 2150.39 199.02 o
2 6 -13 2231.07 2213.71 202.35 o
4 6 -13 4382.80 4807.71 288.70 o
6 6 -13 2113.61 2357.58 273.21 o
-5 7 -13 112.90 220.56 87.30 o
-3 7 -13 1016.71 1128.86 153.97 o
-1 7 -13 97.80 93.66 48.06 o
1 7 -13 75.56 185.96 67.61 o
3 7 -13 930.57 795.52 120.70 o
5 7 -13 51.05 23.95 74.25 o
-4 8 -13 397.31 343.51 101.42 o
-2 8 -13 191.52 205.86 63.80 o
0 8 -13 656.57 750.32 123.24 o
2 8 -13 331.44 361.04 121.78 o
4 8 -13 585.68 600.16 142.65 o
6 8 -13 911.99 857.33 170.14 o
-3 9 -13 1289.65 1534.90 157.18 o
-1 9 -13 1014.04 1080.05 121.02 o
1 9 -13 942.08 1116.41 149.49 o
3 9 -13 1604.35 1753.55 240.31 o
5 9 -13 1598.26 1538.81 230.83 o
-2 10 -13 908.35 895.55 140.77 o
0 10 -13 1618.03 1618.09 146.07 o
2 10 -13 909.63 668.30 159.71 o
4 10 -13 555.58 686.22 161.47 o
-1 11 -13 154.81 116.56 91.82 o
1 11 -13 308.75 192.35 80.88 o
3 11 -13 254.54 341.59 176.70 o
-6 0 -12 1593.30 934.70 267.03 o
-4 0 -12 557.62 531.09 207.10 o
-2 0 -12 4287.27 4734.70 282.92 o
0 0 -12 13176.11 12516.04 873.52 o
2 0 -12 2428.79 2138.81 309.62 o
4 0 -12 1603.22 1659.00 167.14 o
6 0 -12 4343.42 4620.08 296.09 o
8 0 -12 2093.28 2800.70 264.35 o
-7 1 -12 1410.16 922.49 360.73 o
-5 1 -12 3024.31 2882.95 335.35 o
-3 1 -12 3438.47 3623.46 444.44 o
-1 1 -12 3424.76 3638.24 211.79 o
1 1 -12 9045.16 8640.10 349.51 o
3 1 -12 2866.12 2875.66 184.19 o
5 1 -12 1883.09 2075.95 164.33 o
7 1 -12 1687.78 1755.36 167.14 o
-6 2 -12 60.39 5.37 77.49 o
-4 2 -12 316.49 391.05 136.85 o
-2 2 -12 26.83 72.07 40.01 o
0 2 -12 249.85 236.25 61.83 o
2 2 -12 92.39 79.03 46.42 o
4 2 -12 50.16 23.67 40.10 o
6 2 -12 453.50 691.76 117.34 o
8 2 -12 12.42 182.07 107.66 o
-7 3 -12 777.73 584.96 236.99 o
-5 3 -12 1195.22 925.79 188.07 o
-3 3 -12 1812.07 1817.15 213.74 o
-1 3 -12 1080.14 1188.86 142.73 o
1 3 -12 3285.84 3448.75 216.43 o
3 3 -12 382.22 499.88 81.26 o
5 3 -12 707.19 746.38 106.44 o
7 3 -12 590.78 757.32 111.64 o
-6 4 -12 981.72 932.70 187.45 o
-4 4 -12 936.86 1052.38 125.05 o
-2 4 -12 2904.83 2955.34 211.49 o
0 4 -12 3343.51 3355.71 229.60 o
2 4 -12 2312.40 2571.97 196.70 o
4 4 -12 3012.11 3198.09 246.85 o
6 4 -12 1993.80 2068.15 227.26 o
8 4 -12 939.49 1213.08 196.43 o
-5 5 -12 1765.98 1520.32 203.11 o
-3 5 -12 2031.72 1858.31 290.66 o
-1 5 -12 207.92 257.12 58.82 o
1 5 -12 1839.73 1845.64 171.09 o
3 5 -12 2151.35 2338.50 189.63 o
5 5 -12 741.91 823.41 121.17 o
7 5 -12 382.82 397.42 114.09 o
-6 6 -12 598.25 539.55 121.21 o
-4 6 -12 1348.00 1478.37 158.12 o
-2 6 -12 1215.71 1318.92 123.59 o
0 6 -12 867.72 1059.45 135.27 o
2 6 -12 2038.07 2005.52 256.22 o
4 6 -12 2364.48 2445.65 201.55 o
6 6 -12 352.38 431.55 131.13 o
-5 7 -12 1478.60 1564.03 277.65 o
-3 7 -12 3810.07 3781.10 285.00 o
-1 7 -12 1014.89 995.80 103.68 o
1 7 -12 3117.05 2964.36 223.29 o
3 7 -12 3321.42 2945.32 226.99 o
5 7 -12 2193.06 2171.35 268.06 o
7 7 -12 676.57 694.48 160.95 o
-4 8 -12 1735.67 1526.47 277.33 o
-2 8 -12 1660.46 1845.63 150.06 o
0 8 -12 404.76 486.64 101.71 o
2 8 -12 3000.86 3304.09 240.48 o
4 8 -12 2587.87 2616.37 414.54 o
6 8 -12 828.95 916.75 172.92 o
-5 9 -12 981.50 991.75 171.70 o
-3 9 -12 875.45 1035.06 119.97 o
-1 9 -12 566.41 670.94 92.82 o
1 9 -12 1261.62 1071.36 138.54 o
3 9 -12 905.98 1000.08 179.95 o
5 9 -12 212.96 137.53 91.04 o
-4 10 -12 769.65 792.13 142.74 o
-2 10 -12 1070.89 1108.67 124.06 o
0 10 -12 202.65 218.60 61.13 o
2 10 -12 1246.64 1503.81 219.50 o
4 10 -12 1214.77 1296.48 202.93 o
-3 11 -12 1020.99 1072.91 184.47 o
-1 11 -12 1033.46 1101.94 123.87 o
1 11 -12 995.97 1149.37 195.30 o
3 11 -12 837.20 753.24 172.92 o
-2 12 -12 932.71 747.84 151.59 o
0 12 -12 187.00 251.94 139.44 o
2 12 -12 1498.86 1607.23 236.71 o
-7 1 -11 881.28 666.18 166.43 o
-5 1 -11 216.86 144.62 101.53 o
-3 1 -11 2136.30 2104.08 152.70 o
-1 1 -11 4519.17 4750.24 242.01 o
1 1 -11 3296.61 3080.14 135.60 o
3 1 -11 1654.11 1757.73 124.93 o
5 1 -11 2781.00 2608.24 149.80 o
7 1 -11 2501.21 2640.81 228.81 o
9 1 -11 1330.91 1654.03 177.35 o
-6 2 -11 4504.10 3465.55 437.72 o
-4 2 -11 5218.33 4916.00 341.57 o
-2 2 -11 9417.35 9397.54 359.55 o
0 2 -11 8230.72 8457.09 338.69 o
2 2 -11 6388.30 6403.00 312.39 o
4 2 -11 8091.24 7750.32 257.56 o
6 2 -11 7569.60 7888.43 277.69 o
8 2 -11 1375.24 1599.38 144.76 o
-7 3 -11 297.12 216.26 99.23 o
-5 3 -11 94.58 140.37 85.88 o
-3 3 -11 261.34 192.36 54.59 o
-1 3 -11 1855.08 1805.93 163.23 o
1 3 -11 1257.30 1255.99 128.33 o
3 3 -11 1163.15 1091.03 117.84 o
5 3 -11 1150.71 1152.59 126.77 o
7 3 -11 1292.14 1381.53 147.09 o
-6 4 -11 241.37 239.17 73.41 o
-4 4 -11 899.74 879.68 154.91 o
-2 4 -11 214.94 200.63 50.09 o
0 4 -11 1214.36 1299.91 140.61 o
2 4 -11 944.44 1124.68 123.98 o
4 4 -11 435.29 564.83 90.24 o
6 4 -11 707.00 703.00 102.02 o
8 4 -11 11.92 -11.92 145.88 o
-7 5 -11 898.77 658.72 231.40 o
-5 5 -11 2426.36 2463.82 192.30 o
-3 5 -11 5467.23 5192.72 359.43 o
-1 5 -11 2001.62 1956.49 137.88 o
1 5 -11 2980.42 2881.09 204.00 o
3 5 -11 6900.27 7013.97 308.66 o
5 5 -11 4206.01 4083.74 386.70 o
7 5 -11 1736.24 1735.34 223.86 o
-6 6 -11 1735.09 1686.31 470.65 o
-4 6 -11 3702.75 3927.13 232.07 o
-2 6 -11 3525.38 3385.21 191.03 o
0 6 -11 2424.43 2449.28 195.69 o
2 6 -11 4365.96 4520.81 256.32 o
4 6 -11 4003.22 3796.90 239.02 o
6 6 -11 3481.55 3316.42 293.19 o
8 6 -11 960.94 1145.77 197.24 o
-5 7 -11 77.99 143.93 59.93 o
-3 7 -11 174.97 112.73 47.52 o
-1 7 -11 1284.71 1121.47 112.49 o
1 7 -11 727.82 717.90 108.23 o
3 7 -11 560.35 537.45 96.29 o
5 7 -11 734.77 658.42 140.51 o
7 7 -11 555.88 595.34 144.69 o
-6 8 -11 114.83 201.55 91.91 o
-4 8 -11 1034.77 1020.85 129.65 o
-2 8 -11 583.92 489.74 81.57 o
0 8 -11 160.94 147.50 67.10 o
2 8 -11 2746.32 2791.67 216.47 o
4 8 -11 1285.83 1132.44 246.73 o
6 8 -11 863.63 783.28 158.61 o
-5 9 -11 894.25 944.09 211.62 o
-3 9 -11 2913.95 3045.23 198.92 o
-1 9 -11 205.55 245.77 64.30 o
1 9 -11 398.21 312.69 80.43 o
3 9 -11 2164.14 2322.48 256.84 o
5 9 -11 1338.59 1339.14 204.32 o
7 9 -11 617.70 608.33 157.67 o
-4 10 -11 2273.44 2474.49 287.14 o
-2 10 -11 2581.56 2525.82 180.93 o
0 10 -11 1535.19 1761.69 160.91 o
2 10 -11 3088.22 3375.39 307.33 o
4 10 -11 1929.69 2083.28 463.87 o
6 10 -11 1570.57 1503.77 226.17 o
-3 11 -11 184.35 281.19 83.19 o
-1 11 -11 46.67 34.74 47.51 o
1 11 -11 141.67 238.08 119.81 o
3 11 -11 329.21 349.65 122.55 o
5 11 -11 295.04 254.29 105.21 o
-2 12 -11 1115.38 933.45 140.11 o
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