#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:21:37 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180854 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/85/2018562.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_2018562_Fobs
loop_
_publ_author_name
'Tenne, Mario'
'Unger, Yvonne'
'Strassner, Thomas'
_publ_section_title
;
 (Acetylacetonato-\k^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-\k<i>C</i>^2^)-3-methylimidazol-2-ylidene-\k<i>C</i>^2^]platinum(II)
;
_journal_coeditor_code           EG3094
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m203
_journal_page_last               m205
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 100.625
_cell_angle_gamma                90.000
_cell_length_a                   7.5000
_cell_length_b                   12.1440
_cell_length_c                   16.8440
_exptl_crystal_F_000             992.00
_reflns_d_resolution_high        0.8286
_cod_data_source_file            eg3094Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' YU951'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            405.00
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 2956.03 3084.13 63.99 o
3 0 0 42731.45 40815.00 622.83 o
4 0 0 27336.77 27040.24 390.02 o
5 0 0 15163.21 15282.95 251.15 o
6 0 0 950.58 852.42 112.78 o
7 0 0 19884.62 20001.41 350.28 o
8 0 0 740.05 551.52 232.31 o
1 1 0 11921.09 12208.09 83.30 o
2 1 0 32069.45 32561.66 227.68 o
3 1 0 3682.60 3600.40 55.47 o
4 1 0 4394.10 4184.32 121.53 o
5 1 0 924.59 924.29 67.20 o
6 1 0 4227.97 4100.44 130.55 o
7 1 0 454.16 326.17 106.75 o
8 1 0 2080.21 2282.34 186.33 o
0 2 0 53042.67 50472.84 456.42 o
1 2 0 21927.67 21837.91 143.09 o
2 2 0 15244.97 15284.31 98.21 o
3 2 0 25801.63 25423.22 197.23 o
4 2 0 15248.69 15580.03 146.84 o
5 2 0 2305.51 2447.69 72.61 o
6 2 0 404.15 42.74 113.62 o
7 2 0 6770.72 6672.82 196.12 o
8 2 0 530.15 323.35 177.01 o
1 3 0 39121.84 37498.58 277.53 o
2 3 0 10808.53 10612.80 77.77 o
3 3 0 26248.67 26405.16 174.69 o
4 3 0 27643.29 27524.49 237.66 o
5 3 0 2031.58 2188.19 62.89 o
6 3 0 22563.31 22076.52 358.59 o
7 3 0 687.23 770.12 207.26 o
8 3 0 11090.38 10995.84 346.74 o
0 4 0 188.84 201.95 29.37 o
1 4 0 14913.83 14278.35 110.15 o
2 4 0 22166.37 21725.69 157.47 o
3 4 0 193.97 197.34 32.50 o
4 4 0 14.81 9.06 31.69 o
5 4 0 9118.01 9113.12 115.95 o
6 4 0 1371.40 1485.92 76.28 o
7 4 0 964.84 1168.90 163.54 o
8 4 0 63.77 -254.34 205.93 o
1 5 0 15696.11 15221.67 126.53 o
2 5 0 2494.63 2428.21 41.83 o
3 5 0 9174.92 9124.65 85.19 o
4 5 0 8609.91 8578.74 84.95 o
5 5 0 239.22 305.52 47.19 o
6 5 0 11036.82 11240.02 158.63 o
7 5 0 148.17 100.60 131.36 o
8 5 0 3540.31 3547.83 316.06 o
0 6 0 10268.90 9716.73 133.22 o
1 6 0 18343.66 17981.88 146.76 o
2 6 0 74397.52 73125.77 591.54 o
3 6 0 4221.74 4167.60 62.37 o
4 6 0 2871.87 3024.28 72.46 o
5 6 0 34133.94 35106.83 247.37 o
6 6 0 2768.78 2649.84 97.04 o
7 6 0 6292.58 6330.94 343.74 o
8 6 0 2576.11 2243.46 651.80 o
1 7 0 1646.32 1564.53 47.66 o
2 7 0 704.01 699.28 44.85 o
3 7 0 2484.39 2370.85 56.84 o
4 7 0 1441.09 1450.09 55.84 o
5 7 0 388.22 174.90 85.91 o
6 7 0 1058.49 1238.80 94.99 o
0 8 0 6291.80 6017.58 121.25 o
1 8 0 12949.54 12717.06 126.98 o
2 8 0 28127.00 28095.03 210.22 o
3 8 0 2591.91 2629.92 84.19 o
4 8 0 904.15 920.31 68.02 o
5 8 0 11136.20 11703.41 136.70 o
6 8 0 546.24 647.54 101.37 o
1 9 0 23892.49 23401.78 199.12 o
2 9 0 6847.40 6918.78 91.71 o
3 9 0 10205.97 10436.73 123.91 o
4 9 0 13767.86 14291.94 147.55 o
5 9 0 656.24 696.23 90.85 o
6 9 0 9598.57 9644.99 455.76 o
0 10 0 7775.58 7854.63 155.28 o
1 10 0 1522.94 1414.88 75.99 o
2 10 0 306.48 304.68 70.24 o
3 10 0 1446.31 1405.00 75.91 o
4 10 0 985.36 1045.42 87.56 o
5 10 0 0.82 28.35 108.56 o
6 10 0 220.98 203.88 343.90 o
1 11 0 11654.51 11569.43 144.75 o
2 11 0 1716.06 1775.59 76.28 o
3 11 0 4068.40 4099.74 111.66 o
4 11 0 5526.96 5828.02 150.01 o
5 11 0 669.14 574.69 271.19 o
0 12 0 18309.24 19155.67 285.04 o
1 12 0 37.29 140.78 77.45 o
2 12 0 3918.69 4004.65 151.71 o
3 12 0 9273.59 9527.79 169.31 o
4 12 0 6603.73 6895.89 196.73 o
1 13 0 117.21 106.87 124.99 o
2 13 0 56.46 135.94 119.43 o
3 13 0 16.74 186.26 135.14 o
0 14 0 11755.40 12349.79 414.76 o
1 14 0 62.46 -11.87 183.49 o
2 14 0 2629.31 2528.20 298.31 o
-8 1 1 6097.03 5877.63 203.63 o
-7 1 1 5426.35 5365.26 136.25 o
-6 1 1 298.20 253.90 72.75 o
-5 1 1 35834.28 35181.68 334.74 o
-4 1 1 1090.40 1211.14 51.09 o
-3 1 1 5051.68 4836.69 69.05 o
-2 1 1 164023.17 158590.94 1615.94 o
-1 1 1 33616.06 34052.25 226.01 o
1 1 1 599.47 629.88 12.96 o
2 1 1 83874.16 81507.87 529.64 o
3 1 1 4959.11 4996.41 57.97 o
4 1 1 8311.85 8247.42 101.30 o
5 1 1 20584.80 20690.96 241.40 o
6 1 1 2303.88 2282.37 118.05 o
7 1 1 12352.81 12095.13 184.32 o
8 1 1 12.06 -159.61 164.20 o
-8 2 1 5419.47 5428.13 218.69 o
-7 2 1 1444.87 1088.91 103.23 o
-6 2 1 11550.15 11089.23 152.72 o
-5 2 1 52.94 101.45 53.20 o
-4 2 1 26798.45 27211.33 252.72 o
-3 2 1 14355.36 14898.26 109.27 o
-2 2 1 80828.69 80041.17 491.93 o
-1 2 1 12087.80 12077.13 85.48 o
0 2 1 353.21 518.51 19.27 o
1 2 1 48876.26 48024.65 279.02 o
2 2 1 2780.96 2845.42 29.63 o
3 2 1 22712.25 22682.07 153.72 o
4 2 1 17240.78 17096.79 137.57 o
5 2 1 5197.56 5249.30 124.71 o
6 2 1 10405.55 10288.16 164.31 o
7 2 1 2.53 -176.52 125.60 o
8 2 1 9381.58 8777.19 277.95 o
-8 3 1 1794.58 1442.50 211.43 o
-7 3 1 563.92 409.20 155.34 o
-6 3 1 573.05 341.15 118.88 o
-5 3 1 6418.49 6317.40 86.07 o
-4 3 1 168.28 212.31 44.18 o
-3 3 1 11920.00 12374.45 89.80 o
-2 3 1 15318.43 15462.82 113.67 o
-1 3 1 33839.73 35173.68 231.46 o
0 3 1 4998.01 5018.67 50.37 o
1 3 1 11594.51 11438.06 84.72 o
2 3 1 1625.32 1612.77 28.18 o
3 3 1 1460.97 1552.28 41.22 o
4 3 1 126.42 161.35 75.47 o
5 3 1 621.18 692.40 53.42 o
6 3 1 3.25 -2.11 103.38 o
7 3 1 354.77 507.81 129.78 o
8 3 1 0.79 -345.46 253.09 o
-8 4 1 6860.61 6795.32 361.20 o
-7 4 1 4313.15 4205.09 158.86 o
-6 4 1 21971.88 21652.58 204.99 o
-5 4 1 762.32 855.22 56.46 o
-4 4 1 31811.66 31365.39 202.04 o
-3 4 1 6049.75 5700.56 60.94 o
-2 4 1 15306.99 14757.54 116.30 o
-1 4 1 34570.40 33276.80 239.32 o
0 4 1 5027.78 4930.01 54.30 o
1 4 1 36558.94 35767.33 235.92 o
2 4 1 224.73 289.51 26.95 o
3 4 1 27013.25 26874.63 183.50 o
4 4 1 10744.28 10910.76 92.15 o
5 4 1 5555.91 5799.49 101.61 o
6 4 1 20659.44 20463.97 220.18 o
7 4 1 135.64 9.93 334.31 o
8 4 1 8705.75 8842.45 384.99 o
-8 5 1 837.67 371.55 219.54 o
-7 5 1 11990.60 11762.73 200.71 o
-6 5 1 2173.62 2137.33 115.68 o
-5 5 1 8477.82 8590.03 97.22 o
-4 5 1 14400.87 14661.57 120.32 o
-3 5 1 27199.24 26933.95 197.26 o
-2 5 1 1637.95 1635.32 41.67 o
-1 5 1 65.67 201.29 37.02 o
0 5 1 60961.53 58585.33 408.36 o
1 5 1 1477.54 1350.81 33.82 o
2 5 1 11021.66 10713.99 96.66 o
3 5 1 9032.08 9003.01 83.81 o
4 5 1 21196.95 21332.70 159.32 o
5 5 1 8777.45 8851.30 111.77 o
6 5 1 2619.22 2519.56 95.74 o
7 5 1 6378.59 6321.09 223.40 o
8 5 1 244.55 387.67 213.86 o
-8 6 1 358.52 -390.04 474.39 o
-7 6 1 31.76 -259.65 173.10 o
-6 6 1 304.58 375.25 104.05 o
-5 6 1 481.07 419.02 73.43 o
-4 6 1 1010.69 1056.86 46.97 o
-3 6 1 737.60 745.02 43.49 o
-2 6 1 1126.48 1138.50 45.57 o
-1 6 1 559.61 593.01 38.12 o
0 6 1 2462.89 2776.38 51.44 o
1 6 1 3541.78 3570.94 52.53 o
2 6 1 103.73 235.54 37.85 o
3 6 1 484.71 496.52 40.26 o
4 6 1 1814.76 1948.70 56.51 o
5 6 1 317.69 622.54 72.65 o
6 6 1 1765.61 1697.70 110.67 o
7 6 1 33.57 18.25 171.67 o
8 6 1 92.43 625.90 487.61 o
-7 7 1 9192.17 8495.02 486.65 o
-6 7 1 1510.94 1357.50 113.52 o
-5 7 1 11260.86 11270.15 123.94 o
-4 7 1 7557.55 7710.66 93.13 o
-3 7 1 42014.84 42189.33 302.65 o
-2 7 1 4916.13 4845.69 67.00 o
-1 7 1 216.25 136.72 38.58 o
0 7 1 62214.79 59743.87 406.79 o
1 7 1 2380.02 2258.26 48.32 o
2 7 1 29228.36 30437.83 216.02 o
3 7 1 14952.79 15231.35 138.52 o
4 7 1 21955.50 21924.46 206.76 o
5 7 1 10700.50 10777.67 157.21 o
6 7 1 589.09 570.02 118.68 o
-6 8 1 5190.58 5392.37 152.00 o
-5 8 1 72.21 -101.71 75.23 o
-4 8 1 13129.90 13525.99 134.81 o
-3 8 1 3635.70 3629.01 75.32 o
-2 8 1 5817.51 5750.40 80.29 o
-1 8 1 11806.80 11432.89 117.97 o
0 8 1 2986.16 3156.49 67.89 o
1 8 1 12602.11 12430.50 128.60 o
2 8 1 2153.67 2246.85 63.48 o
3 8 1 14796.31 15119.98 133.83 o
4 8 1 3921.61 3952.57 83.12 o
5 8 1 858.59 867.74 79.40 o
6 8 1 5725.94 5841.48 250.89 o
-6 9 1 663.47 1028.41 205.04 o
-5 9 1 65.08 21.54 77.73 o
-4 9 1 3657.53 3795.41 112.49 o
-3 9 1 8255.98 8348.47 112.59 o
-2 9 1 151.13 134.58 52.65 o
-1 9 1 267.18 259.48 66.29 o
0 9 1 8178.18 8199.84 104.16 o
1 9 1 76.68 -30.45 50.87 o
2 9 1 242.45 165.14 63.77 o
3 9 1 2441.90 2448.71 65.65 o
4 9 1 2712.75 2879.29 85.70 o
5 9 1 41.77 -107.19 96.49 o
6 9 1 89.47 -319.74 327.58 o
-5 10 1 15.17 210.22 93.18 o
-4 10 1 15182.80 15699.77 204.63 o
-3 10 1 3929.20 4086.07 93.71 o
-2 10 1 7626.84 7659.04 104.29 o
-1 10 1 19230.70 19362.00 182.62 o
0 10 1 1308.84 1315.39 68.87 o
1 10 1 24542.43 24535.34 200.51 o
2 10 1 926.53 1057.46 67.48 o
3 10 1 8479.50 8841.31 111.76 o
4 10 1 6277.37 6384.05 121.96 o
5 10 1 3904.99 3871.02 178.38 o
-5 11 1 5055.84 5458.22 228.96 o
-4 11 1 3.96 -63.81 105.58 o
-3 11 1 1175.25 1262.68 96.14 o
-2 11 1 8882.59 8940.23 121.49 o
-1 11 1 5833.94 5800.78 106.15 o
0 11 1 1895.05 1788.83 80.75 o
1 11 1 780.12 898.65 81.49 o
2 11 1 10536.77 10636.79 129.57 o
3 11 1 394.84 236.71 81.12 o
4 11 1 1879.85 2303.78 158.46 o
-4 12 1 1573.98 1676.50 173.85 o
-3 12 1 425.16 291.85 108.85 o
-2 12 1 1000.02 1259.22 93.37 o
-1 12 1 2145.48 1989.74 97.69 o
0 12 1 68.61 92.16 88.25 o
1 12 1 2738.91 2911.34 95.15 o
2 12 1 215.61 273.41 100.98 o
3 12 1 1783.91 1864.43 115.70 o
4 12 1 665.37 445.44 191.08 o
5 12 1 474.80 353.51 418.16 o
-4 13 1 327.41 356.03 229.43 o
-3 13 1 3796.34 3824.27 244.46 o
-2 13 1 8775.60 9027.08 176.11 o
-1 13 1 7501.58 7495.30 177.95 o
0 13 1 7154.06 6957.94 178.38 o
1 13 1 686.72 650.67 110.74 o
2 13 1 13457.32 13693.52 209.90 o
3 13 1 832.29 800.12 154.69 o
4 13 1 2839.05 2692.02 489.85 o
-2 14 1 999.36 886.24 260.12 o
-1 14 1 2513.70 2666.65 173.83 o
0 14 1 196.50 173.85 186.79 o
1 14 1 2885.23 3222.55 236.89 o
2 14 1 166.91 15.18 304.94 o
-9 0 2 315.97 -76.01 466.81 o
-8 0 2 3912.60 3657.81 252.81 o
-7 0 2 11149.39 11404.06 254.25 o
-6 0 2 7653.24 7331.85 178.67 o
-5 0 2 19388.11 18756.14 284.53 o
-4 0 2 1889.51 1900.78 84.62 o
-3 0 2 36678.89 35202.16 535.92 o
-2 0 2 18052.29 18428.69 179.18 o
-1 0 2 53409.84 53425.98 717.89 o
1 0 2 352.96 468.52 48.76 o
2 0 2 78720.44 74570.20 1054.91 o
3 0 2 721.48 709.72 42.50 o
4 0 2 18666.85 18402.49 273.58 o
5 0 2 25604.96 25831.91 373.62 o
6 0 2 17242.97 16858.43 289.23 o
7 0 2 9521.58 9420.85 237.04 o
8 0 2 16.76 47.51 244.55 o
-8 1 2 642.00 639.16 224.99 o
-7 1 2 1680.83 1645.27 116.90 o
-6 1 2 3629.18 3628.39 99.57 o
-5 1 2 37.19 -30.11 60.04 o
-4 1 2 5898.02 5803.90 82.23 o
-3 1 2 402.48 476.24 35.68 o
-2 1 2 53540.23 54949.10 424.23 o
-1 1 2 4505.29 4529.96 38.64 o
1 1 2 14912.16 15152.40 108.04 o
2 1 2 929.73 911.17 19.53 o
3 1 2 9538.09 9652.03 92.04 o
4 1 2 1463.47 1583.43 62.07 o
5 1 2 4352.09 4323.78 85.81 o
6 1 2 3976.60 3920.83 116.31 o
7 1 2 76.79 35.91 99.89 o
8 1 2 2669.28 2747.88 176.06 o
-8 2 2 1238.33 1257.61 176.74 o
-7 2 2 5789.88 5705.41 156.14 o
-6 2 2 5021.32 4736.49 107.57 o
-5 2 2 1395.79 1319.00 49.84 o
-4 2 2 9848.04 10197.17 93.65 o
-3 2 2 33841.26 34254.45 227.10 o
-2 2 2 14696.44 15202.66 108.42 o
-1 2 2 3464.54 3594.27 35.34 o
0 2 2 6063.02 6277.98 53.90 o
1 2 2 1592.57 1693.40 26.61 o
2 2 2 14618.74 14927.26 120.00 o
3 2 2 730.86 835.21 30.56 o
4 2 2 6202.78 6033.69 63.14 o
5 2 2 6913.39 6739.24 82.51 o
6 2 2 5302.50 5161.81 122.97 o
7 2 2 2273.98 2042.83 144.06 o
8 2 2 37.58 -162.51 169.54 o
-8 3 2 4237.68 4368.72 339.49 o
-7 3 2 5752.10 6029.82 244.91 o
-6 3 2 16004.74 15895.48 225.03 o
-5 3 2 912.47 950.18 43.61 o
-4 3 2 75726.13 75522.73 492.17 o
-3 3 2 4036.94 4028.56 49.91 o
-2 3 2 36556.33 36943.57 257.39 o
-1 3 2 18386.92 18148.84 129.78 o
0 3 2 24263.02 24168.91 197.11 o
1 3 2 65397.89 63964.38 394.04 o
2 3 2 0.02 -3.10 25.88 o
3 3 2 37982.50 37445.12 243.65 o
4 3 2 6233.60 6128.21 69.43 o
5 3 2 13602.00 13692.98 181.49 o
6 3 2 13741.54 13987.90 172.60 o
7 3 2 1297.85 1074.89 146.92 o
8 3 2 10517.68 9990.44 369.54 o
-8 4 2 1161.50 1711.77 266.50 o
-7 4 2 279.55 436.01 154.77 o
-6 4 2 173.50 104.60 59.67 o
-5 4 2 11138.11 11308.20 123.53 o
-4 4 2 5066.11 5073.84 59.51 o
-3 4 2 46.65 88.03 29.68 o
-2 4 2 15905.94 16411.21 124.98 o
-1 4 2 6278.57 6044.77 61.46 o
0 4 2 6145.35 6067.14 62.97 o
1 4 2 110.74 85.28 21.14 o
2 4 2 7125.92 7243.81 67.04 o
3 4 2 1300.75 1389.42 37.66 o
4 4 2 5666.48 5633.89 68.62 o
5 4 2 237.97 185.66 59.07 o
6 4 2 588.18 671.73 113.26 o
7 4 2 3510.31 3670.73 238.38 o
8 4 2 80.65 273.01 408.40 o
-8 5 2 1989.76 2251.84 318.30 o
-7 5 2 3420.24 3548.25 141.94 o
-6 5 2 7893.52 7688.26 114.12 o
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-4 5 2 13143.09 13900.21 122.97 o
-3 5 2 58.95 93.45 37.11 o
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-1 5 2 13244.52 13213.82 111.55 o
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1 5 2 15482.55 14872.57 115.84 o
2 5 2 304.62 437.82 37.51 o
3 5 2 18628.27 18613.20 137.19 o
4 5 2 6703.15 6654.91 76.48 o
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7 5 2 287.06 -76.79 170.37 o
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-5 6 2 25771.10 25901.93 206.13 o
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0 6 2 35471.04 34240.57 247.09 o
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2 6 2 42075.18 41783.45 292.72 o
3 6 2 5096.01 5137.43 71.91 o
4 6 2 33478.60 34363.78 242.63 o
5 6 2 6478.54 6356.35 91.19 o
6 6 2 2131.73 2370.62 132.20 o
7 6 2 11092.85 11001.88 427.92 o
-7 7 2 253.86 276.10 234.46 o
-6 7 2 1181.14 1305.50 88.06 o
-5 7 2 6.40 -58.45 58.65 o
-4 7 2 2427.20 2470.20 63.12 o
-3 7 2 870.95 1071.96 53.09 o
-2 7 2 1223.30 1322.31 51.99 o
-1 7 2 323.20 392.52 41.82 o
0 7 2 386.66 326.22 56.11 o
1 7 2 3136.15 2952.51 55.41 o
2 7 2 39.32 133.15 39.97 o
3 7 2 3409.32 3813.22 86.99 o
4 7 2 43.12 83.96 56.23 o
5 7 2 83.08 -55.45 61.47 o
6 7 2 828.39 967.47 114.46 o
7 7 2 30.90 -176.35 260.37 o
-7 8 2 1263.41 1372.25 343.74 o
-6 8 2 202.26 30.29 80.07 o
-5 8 2 14153.33 14322.17 151.52 o
-4 8 2 301.20 244.22 60.18 o
-3 8 2 6258.74 6083.49 90.25 o
-2 8 2 5683.01 5557.53 83.39 o
-1 8 2 11196.88 11240.87 119.65 o
0 8 2 12408.65 12527.67 126.56 o
1 8 2 33.64 77.59 46.21 o
2 8 2 21549.55 21758.95 176.01 o
3 8 2 994.99 1106.52 58.90 o
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5 8 2 964.99 907.65 72.60 o
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