#------------------------------------------------------------------------------
#$Date: 2010-01-22 14:33:52 +0200 (Fri, 22 Jan 2010) $
#$Revision: 960 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2224263.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_2224263_Fobs
loop_
_publ_author_name
'Tadbuppa, Primjira P.'
'Tiekink, Edward R. T.'
_publ_section_title
;
[(Z)-N-(2-Chlorophenyl)-O-methylthiocarbamato-\kS](triphenylphosphine-\kP)gold(I)
;
_journal_coeditor_code HB5235
_journal_issue 12
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m1646
_journal_volume 65
_journal_year 2009
_space_group_IT_number 14
_symmetry_space_group_name_Hall '-P 2yn'
_symmetry_space_group_name_H-M 'P 1 21/n 1'
_cell_angle_alpha 90.000
_cell_angle_beta 96.599
_cell_angle_gamma 90.000
_cell_length_a 8.9388
_cell_length_b 26.2804
_cell_length_c 10.3233
_exptl_crystal_F_000 1280.00
_reflns_d_resolution_high 0.7696
_[local]_cod_data_source_file hb5235Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' Template texray.inf'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 346.34
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 107141.55 107733.63 3000.61 o
4 0 0 21575.76 21436.80 723.52 o
6 0 0 28013.58 26135.98 825.63 o
8 0 0 50431.97 48445.53 2218.06 o
10 0 0 9087.34 7520.69 617.81 o
1 1 0 1102.37 1107.82 34.61 o
2 1 0 6043.09 6306.17 149.55 o
3 1 0 743.69 775.05 48.06 o
4 1 0 576.78 575.07 50.17 o
5 1 0 180.74 188.02 42.85 o
6 1 0 386.55 390.94 59.37 o
7 1 0 154.55 158.67 60.04 o
8 1 0 260.61 234.66 131.35 o
9 1 0 54.86 140.58 137.04 o
10 1 0 658.90 747.45 194.52 o
11 1 0 203.89 347.44 181.52 o
0 2 0 6938.61 -14.18 9.45 o
1 2 0 78284.20 83618.73 1919.07 o
2 2 0 29426.09 30752.45 625.80 o
3 2 0 79684.32 81510.96 1624.83 o
4 2 0 3062.14 2898.14 101.17 o
5 2 0 30059.54 30561.14 657.44 o
6 2 0 2206.70 2152.64 107.65 o
7 2 0 19636.96 19930.22 504.31 o
8 2 0 181.41 314.33 92.80 o
9 2 0 15288.25 15391.92 651.56 o
10 2 0 1603.41 1662.09 237.38 o
11 2 0 4255.88 4514.70 387.95 o
1 3 0 1579.23 1856.67 42.41 o
2 3 0 3271.17 3429.75 154.31 o
3 3 0 809.72 805.96 44.84 o
4 3 0 1489.28 1493.72 70.37 o
5 3 0 415.76 390.37 49.10 o
6 3 0 68.19 64.59 33.00 o
7 3 0 1883.30 1812.06 146.96 o
8 3 0 288.54 232.08 91.27 o
9 3 0 14.32 -11.21 124.79 o
10 3 0 458.53 484.78 162.68 o
11 3 0 7.60 -25.01 144.69 o
0 4 0 40320.09 41735.15 1630.09 o
1 4 0 23572.12 25293.33 514.84 o
2 4 0 27475.82 28580.49 692.68 o
3 4 0 6935.07 7280.84 173.40 o
4 4 0 18790.97 18528.45 530.80 o
5 4 0 11383.89 11842.34 213.87 o
6 4 0 14855.09 15579.35 348.26 o
7 4 0 11353.08 10839.64 368.25 o
8 4 0 11106.44 10866.00 382.99 o
9 4 0 4015.15 3847.65 305.25 o
10 4 0 3632.70 4361.42 352.28 o
11 4 0 502.13 298.09 183.39 o
1 5 0 3459.28 3768.23 101.63 o
2 5 0 28650.08 31344.03 760.55 o
3 5 0 368.73 449.64 58.53 o
4 5 0 443.91 444.89 85.90 o
5 5 0 3010.27 3240.97 75.48 o
6 5 0 6404.33 6246.62 152.36 o
7 5 0 165.14 138.66 81.15 o
8 5 0 3.63 130.34 83.76 o
9 5 0 411.80 408.17 157.44 o
10 5 0 545.06 428.42 159.63 o
11 5 0 832.36 1096.86 235.84 o
0 6 0 17246.82 17783.24 741.18 o
1 6 0 106568.46 110196.80 2175.40 o
2 6 0 26471.24 27045.32 561.86 o
3 6 0 17388.83 17223.00 455.14 o
4 6 0 19094.36 19193.82 514.89 o
5 6 0 16795.01 17920.01 504.16 o
6 6 0 5697.63 5422.13 227.21 o
7 6 0 12016.52 12083.19 401.00 o
8 6 0 4376.65 4306.25 328.40 o
9 6 0 5597.24 5761.70 289.03 o
10 6 0 4559.58 4824.13 366.84 o
11 6 0 1303.72 1239.11 244.22 o
1 7 0 328.08 424.35 38.83 o
2 7 0 1444.68 1495.99 47.28 o
3 7 0 26.71 42.10 40.11 o
4 7 0 697.54 682.94 80.22 o
5 7 0 192.90 196.04 66.32 o
6 7 0 181.77 222.14 81.18 o
7 7 0 1034.50 1227.99 134.67 o
8 7 0 805.22 801.46 128.85 o
9 7 0 29.53 -95.53 87.99 o
10 7 0 295.56 256.67 153.93 o
11 7 0 206.01 367.69 176.76 o
0 8 0 4217.21 4432.13 255.18 o
1 8 0 19231.77 20166.95 601.21 o
2 8 0 13757.43 14358.35 269.25 o
3 8 0 33421.29 33412.06 831.75 o
4 8 0 27500.44 29222.03 752.39 o
5 8 0 32839.53 32803.11 849.51 o
6 8 0 6995.88 6094.63 733.28 o
7 8 0 6686.78 6592.28 279.79 o
8 8 0 1869.23 1758.69 239.48 o
9 8 0 4084.81 4093.20 361.63 o
10 8 0 1045.69 971.17 202.84 o
11 8 0 2235.43 2272.38 305.41 o
1 9 0 487.14 517.22 63.49 o
2 9 0 2384.72 2547.61 97.37 o
3 9 0 2312.50 2597.87 128.47 o
4 9 0 27.34 -14.97 49.49 o
5 9 0 5468.49 5361.34 219.78 o
6 9 0 1127.34 1121.12 123.23 o
7 9 0 274.00 362.16 98.95 o
8 9 0 30.48 -2.37 83.02 o
9 9 0 521.16 643.27 133.08 o
10 9 0 192.39 151.40 147.25 o
11 9 0 67.86 -42.73 158.64 o
0 10 0 34778.68 36499.17 1495.28 o
1 10 0 2734.46 1226.11 1581.59 o
2 10 0 54408.74 56607.12 983.71 o
3 10 0 85.17 120.23 26.44 o
4 10 0 44858.47 46076.61 1143.81 o
5 10 0 1116.93 1172.25 117.99 o
6 10 0 28567.00 27696.41 758.30 o
7 10 0 454.02 396.79 105.72 o
8 10 0 8224.52 8454.71 345.67 o
9 10 0 8.90 49.49 102.55 o
10 10 0 3684.83 3460.72 329.21 o
11 10 0 10.10 14.53 175.59 o
1 11 0 93.48 29.98 77.60 o
2 11 0 1454.85 1386.03 73.11 o
3 11 0 2352.49 2438.41 73.26 o
4 11 0 66.95 77.96 58.44 o
5 11 0 1496.81 1344.27 126.60 o
6 11 0 16.75 -16.84 72.99 o
7 11 0 142.87 38.54 95.03 o
8 11 0 1537.42 1423.79 165.63 o
9 11 0 357.23 455.41 125.57 o
10 11 0 616.84 686.29 118.61 o
0 12 0 13089.53 13501.33 638.21 o
1 12 0 32525.84 34270.67 1456.48 o
2 12 0 14.53 75.68 39.86 o
3 12 0 61233.84 61556.09 1262.47 o
4 12 0 7.99 -45.33 50.99 o
5 12 0 36359.60 36523.39 953.09 o
6 12 0 16.82 10.31 75.35 o
7 12 0 9668.63 9569.18 366.41 o
8 12 0 1030.06 968.22 143.01 o
9 12 0 3837.55 3782.47 257.54 o
10 12 0 20.33 99.62 88.34 o
1 13 0 293.12 468.86 75.94 o
2 13 0 408.90 461.43 62.31 o
3 13 0 202.41 119.52 41.54 o
4 13 0 40.73 63.82 65.55 o
5 13 0 133.26 150.73 79.08 o
6 13 0 1203.13 1159.50 132.37 o
7 13 0 391.78 423.62 105.99 o
8 13 0 4.26 -57.49 85.30 o
9 13 0 257.90 245.31 115.26 o
10 13 0 94.14 32.90 91.99 o
0 14 0 26450.84 26875.33 1168.97 o
1 14 0 6931.99 7561.37 299.71 o
2 14 0 13248.38 12808.79 363.80 o
3 14 0 4832.55 4825.86 156.33 o
4 14 0 36654.87 37407.17 968.07 o
5 14 0 3616.39 3261.04 188.48 o
6 14 0 12742.32 12528.71 427.70 o
7 14 0 1736.14 1543.29 161.20 o
8 14 0 4784.74 4877.01 277.36 o
9 14 0 988.11 1035.38 160.46 o
10 14 0 1983.93 1856.97 182.30 o
1 15 0 720.75 673.36 96.89 o
2 15 0 449.35 401.66 67.20 o
3 15 0 577.45 604.65 49.93 o
4 15 0 1201.89 1230.87 170.06 o
5 15 0 13.62 29.76 74.81 o
6 15 0 20.16 -49.68 74.12 o
7 15 0 417.13 474.88 111.65 o
8 15 0 78.09 74.70 106.04 o
9 15 0 171.30 239.52 117.98 o
10 15 0 520.01 433.67 123.72 o
0 16 0 10709.56 11184.79 582.00 o
1 16 0 18491.18 19548.69 905.58 o
2 16 0 12697.13 13231.06 276.57 o
3 16 0 20890.97 21569.04 460.16 o
4 16 0 9889.79 9983.88 419.79 o
5 16 0 6963.99 6897.07 285.60 o
6 16 0 8006.50 7371.50 307.06 o
7 16 0 3537.90 3381.40 223.92 o
8 16 0 3506.48 3793.53 258.56 o
9 16 0 3736.19 4071.31 280.60 o
10 16 0 1738.54 1779.94 184.69 o
1 17 0 3011.36 3327.98 306.42 o
2 17 0 127.82 81.19 45.74 o
3 17 0 4213.19 3972.27 154.73 o
4 17 0 403.59 272.84 92.15 o
5 17 0 1723.27 1614.39 175.34 o
6 17 0 343.55 405.95 104.77 o
7 17 0 148.49 79.99 100.11 o
8 17 0 92.27 61.17 96.86 o
9 17 0 939.85 994.20 206.28 o
10 17 0 95.73 155.86 106.29 o
0 18 0 19398.29 20255.48 954.08 o
1 18 0 19565.71 21117.05 1547.27 o
2 18 0 9621.49 9875.22 259.61 o
3 18 0 11144.74 11540.53 295.81 o
4 18 0 4420.82 4265.74 371.09 o
5 18 0 6333.72 6056.15 437.70 o
6 18 0 3151.81 2974.13 210.20 o
7 18 0 5691.35 5855.08 296.71 o
8 18 0 3195.68 2888.02 280.70 o
9 18 0 2939.68 2837.74 253.50 o
1 19 0 12.96 230.33 87.10 o
2 19 0 810.61 857.24 113.49 o
3 19 0 194.47 283.37 57.22 o
4 19 0 200.30 233.82 113.40 o
5 19 0 137.57 141.41 90.51 o
6 19 0 3.42 -43.39 84.75 o
7 19 0 178.21 155.72 106.66 o
8 19 0 15.60 -131.95 93.26 o
9 19 0 277.80 317.97 145.44 o
0 20 0 20820.20 22279.54 1052.07 o
1 20 0 3872.41 3749.09 232.78 o
2 20 0 19466.41 20287.07 541.43 o
3 20 0 1104.33 1395.82 179.60 o
4 20 0 7801.69 8045.23 808.83 o
5 20 0 691.01 727.67 124.07 o
6 20 0 6673.99 6498.96 306.03 o
7 20 0 1152.13 1013.74 157.66 o
8 20 0 6013.15 5422.56 315.32 o
9 20 0 576.79 885.59 267.99 o
1 21 0 28.80 72.25 87.41 o
2 21 0 1838.20 1934.33 138.71 o
3 21 0 917.11 810.84 166.14 o
4 21 0 281.87 144.61 138.04 o
5 21 0 285.50 310.13 137.53 o
6 21 0 15.67 156.14 107.37 o
7 21 0 0.96 -18.64 97.18 o
8 21 0 268.41 453.93 161.74 o
9 21 0 38.74 -40.00 108.27 o
0 22 0 104.82 115.90 145.25 o
1 22 0 32202.31 34034.10 1151.81 o
2 22 0 428.04 429.56 72.74 o
3 22 0 5829.93 5967.72 340.04 o
4 22 0 82.52 5.66 100.99 o
5 22 0 5765.10 6197.36 386.27 o
6 22 0 83.33 72.56 164.15 o
7 22 0 9512.03 9592.63 743.25 o
8 22 0 67.86 165.60 121.36 o
1 23 0 29.81 471.07 125.35 o
2 23 0 227.53 300.12 92.52 o
3 23 0 165.50 157.79 118.70 o
4 23 0 12.57 -31.57 108.66 o
5 23 0 685.09 1023.80 187.66 o
6 23 0 8.29 114.97 131.48 o
7 23 0 15.05 -120.86 103.39 o
8 23 0 59.96 88.68 117.80 o
0 24 0 13906.70 15630.35 837.18 o
1 24 0 352.10 309.23 83.75 o
2 24 0 13345.44 13983.61 360.12 o
3 24 0 1213.85 1088.23 185.55 o
4 24 0 4729.35 5089.61 349.21 o
5 24 0 916.20 858.25 289.26 o
6 24 0 4606.80 4554.00 490.97 o
7 24 0 123.59 81.54 159.39 o
8 24 0 4572.44 4391.06 308.00 o
1 25 0 54.37 110.24 67.53 o
2 25 0 150.64 58.99 108.81 o
3 25 0 275.42 324.08 132.45 o
4 25 0 60.09 14.30 118.90 o
5 25 0 41.58 48.59 136.62 o
6 25 0 449.58 324.63 169.26 o
7 25 0 17.92 118.80 156.51 o
0 26 0 4788.36 5378.75 454.16 o
1 26 0 9103.25 9314.28 288.21 o
2 26 0 1712.12 1999.66 230.43 o
3 26 0 4628.50 5209.27 354.14 o
4 26 0 1661.15 1495.73 217.39 o
5 26 0 2910.04 3238.97 316.35 o
6 26 0 988.45 917.99 217.94 o
7 26 0 3674.10 3588.45 742.17 o
1 27 0 250.39 354.67 79.76 o
2 27 0 15.55 78.12 122.97 o
3 27 0 77.24 -53.21 113.37 o
4 27 0 203.49 80.09 138.95 o
5 27 0 482.06 775.63 197.09 o
6 27 0 48.18 117.25 153.55 o
7 27 0 774.65 789.73 233.69 o
0 28 0 5751.32 4956.37 292.91 o
1 28 0 5165.61 5520.65 310.60 o
2 28 0 3750.03 3886.97 310.48 o
3 28 0 3138.10 3387.74 555.14 o
4 28 0 2908.97 2948.53 402.17 o
5 28 0 1901.82 1721.72 260.94 o
6 28 0 2425.78 2674.93 322.58 o
1 29 0 330.38 506.69 119.98 o
2 29 0 394.80 317.02 163.16 o
3 29 0 503.78 352.94 160.34 o
4 29 0 82.67 -170.93 113.95 o
5 29 0 49.28 61.21 158.88 o
6 29 0 460.17 668.65 162.16 o
0 30 0 5864.94 6302.98 367.85 o
1 30 0 629.60 846.49 151.33 o
2 30 0 4646.92 4991.45 248.87 o
3 30 0 1863.89 1922.69 509.37 o
4 30 0 4877.59 5511.93 800.37 o
5 30 0 1188.85 1450.89 180.37 o
1 31 0 271.17 408.15 117.39 o
2 31 0 1.70 4.35 99.88 o
3 31 0 5.85 -69.89 108.44 o
4 31 0 85.04 -48.95 125.58 o
0 32 0 79.74 96.20 113.14 o
1 32 0 3833.25 3884.20 255.19 o
2 32 0 154.04 59.78 115.98 o
3 32 0 3973.72 4401.16 297.43 o
4 32 0 263.07 348.97 151.48 o
1 33 0 5.53 117.34 106.26 o
2 33 0 105.91 172.30 136.19 o
0 34 0 1997.62 2454.34 422.32 o
1 34 0 70.12 237.80 115.64 o
-11 0 1 1684.47 1942.48 394.96 o
-9 0 1 7791.55 7311.77 565.08 o
-7 0 1 31282.69 32310.12 655.42 o
-5 0 1 10005.38 9885.72 226.28 o
-1 0 1 31289.57 31986.95 1306.76 o
1 0 1 109642.53 116360.34 3228.36 o
3 0 1 18374.27 19918.11 603.57 o
5 0 1 11810.72 12232.91 434.32 o
7 0 1 2997.70 3021.36 204.14 o
9 0 1 4507.03 4496.30 474.05 o
11 0 1 1194.07 1052.57 327.31 o
-11 1 1 358.88 556.38 187.38 o
-10 1 1 752.00 735.79 331.04 o
-9 1 1 1997.92 2324.30 244.63 o
-8 1 1 6859.54 6651.49 260.73 o
-7 1 1 5396.64 5661.37 133.07 o
-6 1 1 16081.25 16594.12 358.55 o
-5 1 1 4103.26 4051.21 99.20 o
-4 1 1 6417.78 6224.10 173.59 o
-3 1 1 11709.20 12387.67 306.95 o
-2 1 1 19151.30 20459.17 301.99 o
0 1 1 36909.22 32828.61 1203.79 o
1 1 1 8728.98 9287.95 336.23 o
2 1 1 38421.91 40200.68 924.65 o
3 1 1 23059.10 24322.07 513.07 o
4 1 1 16172.56 16809.23 380.67 o
5 1 1 6357.36 6304.96 189.64 o
6 1 1 6499.60 6207.56 199.16 o
7 1 1 2597.34 2517.77 132.51 o
8 1 1 5690.63 5003.63 661.34 o
9 1 1 1974.69 2160.76 246.22 o
10 1 1 4330.37 5258.69 993.62 o
11 1 1 2433.25 2096.39 292.52 o
-11 2 1 307.86 206.03 160.04 o
-10 2 1 2770.63 2888.42 295.80 o
-9 2 1 1147.88 1245.96 193.46 o
-8 2 1 7214.82 7236.70 246.52 o
-7 2 1 219.63 204.41 36.73 o
-6 2 1 15445.76 15753.80 523.08 o
-5 2 1 76.15 73.10 24.21 o
-4 2 1 28120.12 29339.76 443.52 o
-3 2 1 3523.01 3816.81 82.66 o
-2 2 1 584.56 608.59 27.72 o
-1 2 1 3614.91 3751.88 78.39 o
0 2 1 30825.16 34032.09 1008.01 o
1 2 1 137.04 93.51 34.61 o
2 2 1 51964.52 55040.08 1098.39 o
3 2 1 1421.92 1484.51 66.20 o
4 2 1 9380.40 9295.09 358.63 o
5 2 1 57.93 138.72 46.54 o
6 2 1 123.67 167.10 55.17 o
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8 2 1 2329.17 2268.25 170.02 o
9 2 1 200.99 231.36 144.83 o
10 2 1 2317.47 1920.11 259.87 o
11 2 1 2.56 -216.01 144.01 o
-11 3 1 462.66 492.04 181.09 o
-10 3 1 18.56 180.49 135.86 o
-9 3 1 4607.54 4695.14 329.12 o
-8 3 1 1504.44 995.69 279.53 o
-7 3 1 19072.54 20124.95 1141.11 o
-6 3 1 2293.62 2276.25 77.69 o
-5 3 1 25443.86 26231.27 493.08 o
-4 3 1 1133.37 1135.54 56.10 o
-3 3 1 5290.43 5320.21 177.40 o
-2 3 1 281.12 344.07 23.80 o
-1 3 1 30996.55 33454.08 576.09 o
0 3 1 29413.41 31050.13 685.70 o
1 3 1 64240.21 66858.34 1283.95 o
2 3 1 8597.60 9408.29 212.59 o
3 3 1 57419.82 60792.73 1223.12 o
4 3 1 850.46 847.13 60.78 o
5 3 1 12045.90 11843.47 298.37 o
6 3 1 2938.53 2785.61 125.72 o
7 3 1 13821.45 14339.52 666.31 o
8 3 1 6416.22 6752.73 284.11 o
9 3 1 6303.33 6288.79 373.87 o
10 3 1 284.36 128.35 151.35 o
11 3 1 3959.12 4223.50 386.28 o
-11 4 1 1373.49 1619.91 325.07 o
-10 4 1 1640.51 1995.06 257.11 o
-9 4 1 2042.15 2100.34 241.07 o
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-7 4 1 11050.19 11391.93 421.37 o
-6 4 1 2458.13 2469.80 75.40 o
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-4 4 1 103.05 109.48 21.41 o
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6 4 1 3271.83 3015.52 129.49 o
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8 4 1 425.95 530.88 110.13 o
9 4 1 423.14 640.57 167.93 o
10 4 1 1240.81 1016.77 214.35 o
11 4 1 656.06 442.04 198.24 o
-11 5 1 41.50 231.93 167.23 o
-10 5 1 3605.51 3754.72 496.69 o
-9 5 1 142.50 304.87 136.37 o
-8 5 1 3519.58 3781.33 150.93 o
-7 5 1 1199.16 1164.92 99.93 o
-6 5 1 14779.85 15046.72 306.42 o
-5 5 1 291.18 322.51 40.15 o
-4 5 1 37406.23 39233.21 707.51 o
-3 5 1 473.62 506.35 26.09 o
-2 5 1 100190.30 103020.91 2037.22 o
-1 5 1 20329.57 22341.14 397.78 o
0 5 1 12140.25 12245.31 243.05 o
1 5 1 25290.16 27595.58 545.90 o
2 5 1 66466.53 70841.96 1411.64 o
3 5 1 5.84 18.23 24.19 o
4 5 1 43393.58 44274.91 917.15 o
5 5 1 123.87 147.31 43.69 o
6 5 1 20688.47 20128.77 471.02 o
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8 5 1 6552.95 6282.19 275.78 o
9 5 1 5.81 228.68 132.33 o
10 5 1 5430.02 5482.71 388.67 o
11 5 1 42.94 232.09 183.80 o
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-4 6 1 19982.90 20531.48 441.74 o
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