#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:45:55 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181092 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/72/2217246.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_2217246_Fobs
loop_
_publ_author_name
'Maynard, Branson A.'
'Sykora, Richard E.'
_publ_section_title
;
 A nearly planar arrangement of ions in 4,4'-bipiperidinium
 tetracyanidoplatinate(II) monohydrate
;
_journal_coeditor_code           PK2073
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m138
_journal_page_last               m139
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.5246
_cell_length_b                   11.9662
_cell_length_c                   15.4108
_exptl_crystal_F_000             944.00
_reflns_d_resolution_high        0.8293
_cod_data_source_file            pk2073Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' p212121 in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            563.93
_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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 149971.36 138806.16 622.55 o
4 0 0 34954.93 35768.61 347.67 o
6 0 0 14805.33 15666.51 285.71 o
8 0 0 682.93 896.59 59.35 o
10 0 0 1545.57 1716.34 126.61 o
1 1 0 85664.89 81716.55 624.81 o
2 1 0 2259.84 2475.96 84.13 o
3 1 0 27379.31 26486.43 286.81 o
4 1 0 7379.08 7764.44 167.41 o
5 1 0 8541.09 10267.20 214.89 o
6 1 0 8415.38 9071.09 222.83 o
7 1 0 677.42 880.14 59.89 o
8 1 0 3034.54 3375.39 164.97 o
9 1 0 606.46 577.68 55.33 o
10 1 0 1684.05 1748.32 133.05 o
11 1 0 831.35 963.52 73.71 o
0 2 0 14485.81 16222.40 113.88 o
1 2 0 2491.44 2464.14 65.22 o
2 2 0 6843.39 6573.33 168.21 o
3 2 0 10453.73 11556.57 244.03 o
4 2 0 8058.08 9115.44 213.15 o
5 2 0 15637.14 16056.06 296.04 o
6 2 0 1219.69 1457.92 99.50 o
7 2 0 13921.21 15367.53 333.79 o
8 2 0 19.34 0.00 80.76 o
9 2 0 9403.63 9816.11 323.23 o
10 2 0 352.17 455.39 58.62 o
11 2 0 1479.84 1553.36 108.97 o
1 3 0 36.90 142.02 12.89 o
2 3 0 2317.38 2578.91 108.17 o
3 3 0 204.61 202.91 26.99 o
4 3 0 9659.10 8908.22 235.20 o
5 3 0 104.86 153.86 36.94 o
6 3 0 19979.49 20760.68 412.06 o
7 3 0 12.19 -103.34 103.34 o
8 3 0 10451.71 10869.86 320.57 o
9 3 0 0.40 83.54 117.01 o
10 3 0 4526.34 4960.63 263.56 o
11 3 0 108.95 -70.81 142.15 o
0 4 0 33877.59 36633.60 250.45 o
1 4 0 2096.74 2159.91 69.43 o
2 4 0 13607.98 11952.82 200.74 o
3 4 0 14021.15 13948.49 288.69 o
4 4 0 8861.36 8454.04 206.97 o
5 4 0 18570.79 16020.68 310.85 o
6 4 0 1965.43 1915.09 119.74 o
7 4 0 12619.73 13047.32 335.57 o
8 4 0 53.08 30.29 95.64 o
9 4 0 8903.12 8888.11 310.14 o
10 4 0 101.48 173.76 56.19 o
11 4 0 1738.78 1769.44 113.29 o
1 5 0 13258.80 12308.22 168.47 o
2 5 0 843.19 827.55 55.61 o
3 5 0 18155.23 16378.01 306.53 o
4 5 0 5397.62 5462.00 177.77 o
5 5 0 3925.54 3798.63 155.41 o
6 5 0 6034.25 5076.16 183.87 o
7 5 0 151.75 172.47 37.60 o
8 5 0 2609.55 2728.50 156.66 o
9 5 0 398.27 474.06 50.65 o
10 5 0 1356.31 1562.94 98.70 o
0 6 0 45259.72 46154.29 351.37 o
1 6 0 0.06 9.30 40.64 o
2 6 0 29176.30 27381.28 318.47 o
3 6 0 0.32 -62.82 63.75 o
4 6 0 22085.16 21093.80 389.42 o
5 6 0 43.06 93.91 30.15 o
6 6 0 2899.71 2914.16 149.97 o
7 6 0 17.55 -82.35 82.35 o
8 6 0 47.59 114.50 82.22 o
9 6 0 0.04 18.59 100.01 o
10 6 0 968.62 1058.80 80.78 o
1 7 0 31039.48 30418.16 317.46 o
2 7 0 1038.22 1139.70 77.46 o
3 7 0 16214.82 14702.81 280.96 o
4 7 0 4794.73 4569.66 206.25 o
5 7 0 3994.59 3909.05 166.59 o
6 7 0 3999.90 4045.78 172.35 o
7 7 0 328.72 305.99 39.48 o
8 7 0 1385.53 1293.88 84.07 o
9 7 0 195.75 233.46 47.44 o
10 7 0 1162.52 1134.65 96.65 o
0 8 0 18159.29 17424.48 246.79 o
1 8 0 674.06 744.11 47.79 o
2 8 0 4881.26 4812.32 154.04 o
3 8 0 11337.75 10623.42 250.26 o
4 8 0 1075.03 1053.97 81.00 o
5 8 0 17782.63 16673.40 356.65 o
6 8 0 365.14 328.09 39.62 o
7 8 0 6269.57 5641.65 212.11 o
8 8 0 32.86 -92.45 92.45 o
9 8 0 5125.11 5489.61 209.65 o
1 9 0 20.84 109.45 25.77 o
2 9 0 2266.50 2333.05 124.07 o
3 9 0 122.13 75.07 81.58 o
4 9 0 10366.49 10940.72 292.11 o
5 9 0 90.79 113.72 40.78 o
6 9 0 10297.21 10076.29 279.95 o
7 9 0 6.66 46.49 83.28 o
8 9 0 3934.78 3760.30 174.09 o
0 10 0 5490.27 6659.80 184.95 o
1 10 0 626.14 681.58 49.36 o
2 10 0 3118.12 2987.27 143.96 o
3 10 0 3169.53 3408.95 166.97 o
4 10 0 2341.00 2467.33 144.14 o
5 10 0 5817.46 5792.03 256.07 o
6 10 0 398.62 486.28 52.24 o
7 10 0 4786.90 4656.78 205.28 o
8 10 0 1.70 -6.38 98.95 o
1 11 0 8259.75 8266.23 226.07 o
2 11 0 396.14 493.90 41.88 o
3 11 0 8095.71 9288.30 267.63 o
4 11 0 1396.75 1455.98 95.00 o
5 11 0 2621.65 2788.58 192.64 o
6 11 0 2703.46 3157.35 194.63 o
7 11 0 32.51 -20.72 107.46 o
0 12 0 18291.75 19020.02 350.21 o
1 12 0 12.82 48.88 87.79 o
2 12 0 8833.02 9563.69 271.50 o
3 12 0 0.45 40.24 102.40 o
4 12 0 5638.56 5062.20 242.40 o
5 12 0 2.89 19.13 138.93 o
6 12 0 996.98 1144.01 71.33 o
1 13 0 6596.59 7268.83 241.80 o
2 13 0 202.69 131.41 109.36 o
3 13 0 5022.41 5368.04 237.97 o
4 13 0 423.41 471.65 59.95 o
0 14 0 2286.87 2228.98 140.25 o
1 14 0 208.73 196.65 52.22 o
2 14 0 1172.97 1369.94 90.13 o
1 0 1 1253.64 1529.99 59.86 o
2 0 1 7816.63 8880.67 247.55 o
3 0 1 23633.76 25609.59 795.76 o
4 0 1 13275.72 14544.05 152.33 o
5 0 1 25301.93 25825.76 536.69 o
6 0 1 24053.08 25927.81 390.62 o
7 0 1 8814.64 9809.92 176.41 o
8 0 1 14228.02 14965.29 555.37 o
9 0 1 6549.20 7590.28 183.95 o
10 0 1 4183.67 4756.41 494.80 o
11 0 1 2709.59 3036.86 135.47 o
-11 1 1 1143.43 1127.49 95.19 o
-10 1 1 3496.63 3668.59 221.12 o
-9 1 1 4664.13 5196.79 218.00 o
-8 1 1 4441.17 4649.34 201.20 o
-7 1 1 6913.35 7669.30 223.45 o
-6 1 1 12657.43 13337.83 268.33 o
-5 1 1 7653.63 7907.54 187.11 o
-4 1 1 17222.78 17467.43 251.48 o
-3 1 1 8305.90 9052.04 162.89 o
-2 1 1 4655.22 5581.29 119.63 o
-1 1 1 15093.40 18010.88 257.06 o
0 1 1 5074.40 5890.67 44.63 o
1 1 1 15150.70 16575.64 255.14 o
2 1 1 4654.97 5268.76 122.68 o
3 1 1 8291.30 9837.21 176.30 o
4 1 1 17210.75 19121.48 271.19 o
5 1 1 7570.30 8950.05 203.90 o
6 1 1 12791.74 14241.43 283.42 o
7 1 1 6944.14 7904.59 237.85 o
8 1 1 4665.18 5257.94 214.77 o
9 1 1 4700.68 5540.86 237.50 o
10 1 1 3537.69 4315.75 222.88 o
11 1 1 1112.35 1231.12 79.21 o
-11 2 1 748.75 876.35 70.24 o
-10 2 1 1270.99 1297.55 75.39 o
-9 2 1 2161.22 2323.34 151.93 o
-8 2 1 878.54 966.78 64.17 o
-7 2 1 3036.10 3613.89 171.55 o
-6 2 1 4017.68 4217.08 167.76 o
-5 2 1 5973.98 6455.56 193.35 o
-4 2 1 15760.97 17160.18 288.36 o
-3 2 1 10533.85 10656.79 235.87 o
-2 2 1 13191.47 12935.71 234.92 o
-1 2 1 33509.82 29682.54 247.98 o
0 2 1 25388.37 29166.10 201.53 o
1 2 1 33493.67 30287.23 242.58 o
2 2 1 13065.82 13370.23 243.19 o
3 2 1 10590.78 12252.40 268.40 o
4 2 1 15674.64 17538.42 311.64 o
5 2 1 5999.36 6850.67 207.37 o
6 2 1 3964.16 4499.95 178.36 o
7 2 1 2978.23 3626.95 177.95 o
8 2 1 844.86 948.19 63.50 o
9 2 1 2157.99 2446.95 155.40 o
10 2 1 1267.20 1356.27 96.03 o
11 2 1 740.99 770.58 73.56 o
-11 3 1 684.81 758.25 75.68 o
-10 3 1 453.06 532.73 62.62 o
-9 3 1 295.75 347.69 57.02 o
-8 3 1 8.07 14.88 106.12 o
-7 3 1 227.93 287.87 42.13 o
-6 3 1 878.96 1072.15 79.79 o
-5 3 1 9356.07 12563.22 306.58 o
-4 3 1 1221.89 1040.99 64.24 o
-3 3 1 34891.43 31232.97 396.19 o
-2 3 1 2712.68 2588.61 116.12 o
-1 3 1 32108.43 31881.55 248.64 o
0 3 1 31174.73 34897.09 306.09 o
1 3 1 32075.10 31727.43 247.78 o
2 3 1 2737.41 2554.00 109.51 o
3 3 1 34616.03 31704.06 405.57 o
4 3 1 1229.25 1318.54 93.75 o
5 3 1 9223.57 10553.22 303.41 o
6 3 1 898.87 1074.62 75.00 o
7 3 1 227.31 206.27 48.11 o
8 3 1 8.06 -47.82 106.92 o
9 3 1 291.23 334.00 62.87 o
10 3 1 445.49 662.47 65.81 o
11 3 1 678.31 827.26 78.07 o
-11 4 1 625.53 723.83 68.49 o
-10 4 1 1449.21 1406.92 107.65 o
-9 4 1 1959.99 2117.95 162.24 o
-8 4 1 1052.57 1211.87 87.76 o
-7 4 1 3047.02 3393.30 182.44 o
-6 4 1 4538.42 4882.98 193.84 o
-5 4 1 7793.55 7533.08 217.95 o
-4 4 1 13436.77 12393.33 252.66 o
-3 4 1 16662.91 16631.02 319.32 o
-2 4 1 22741.59 20965.83 275.73 o
-1 4 1 23358.24 21899.97 214.57 o
0 4 1 64250.45 71204.27 265.57 o
1 4 1 23372.75 24149.32 225.75 o
2 4 1 22709.27 22400.40 278.81 o
3 4 1 16683.75 17748.68 345.67 o
4 4 1 13400.88 11873.97 253.33 o
5 4 1 7796.20 7671.54 227.92 o
6 4 1 4525.03 4855.71 203.67 o
7 4 1 3078.70 3345.23 190.23 o
8 4 1 1044.94 1093.06 72.05 o
9 4 1 1975.72 2093.87 147.70 o
10 4 1 1451.89 1583.99 119.91 o
11 4 1 636.71 711.75 70.35 o
-10 5 1 2974.39 2731.77 188.18 o
-9 5 1 1853.43 2036.37 137.91 o
-8 5 1 6196.32 5889.86 224.76 o
-7 5 1 2064.35 1938.17 122.74 o
-6 5 1 12080.46 11326.94 269.29 o
-5 5 1 6442.06 5609.48 185.43 o
-4 5 1 9931.54 10227.52 241.77 o
-3 5 1 9362.68 9955.52 238.68 o
-2 5 1 5861.06 5872.13 143.93 o
-1 5 1 3675.14 3405.11 92.12 o
0 5 1 10801.91 11566.86 248.57 o
1 5 1 3594.74 3454.48 93.98 o
2 5 1 5799.83 6313.11 148.25 o
3 5 1 9343.59 9172.29 236.87 o
4 5 1 9891.67 10008.17 247.10 o
5 5 1 6423.06 6567.28 198.03 o
6 5 1 12129.87 11838.55 278.41 o
7 5 1 2148.38 2279.25 145.61 o
8 5 1 6308.98 6694.46 246.94 o
9 5 1 1907.53 1884.69 132.72 o
10 5 1 3001.31 3013.93 199.41 o
-10 6 1 2027.30 1953.89 138.31 o
-9 6 1 6434.07 6691.23 238.94 o
-8 6 1 2457.95 2333.31 137.73 o
-7 6 1 8907.15 8607.76 243.02 o
-6 6 1 7356.75 7359.41 212.27 o
-5 6 1 10656.28 9430.59 236.57 o
-4 6 1 8182.37 8392.96 242.26 o
-3 6 1 7136.68 6662.73 193.32 o
-2 6 1 2192.69 2071.47 95.14 o
-1 6 1 1938.28 1978.02 78.08 o
0 6 1 109.38 140.88 12.71 o
1 6 1 1916.31 1990.82 83.02 o
2 6 1 2230.37 2252.57 100.11 o
3 6 1 7130.62 7453.01 204.22 o
4 6 1 8199.85 8175.60 254.97 o
5 6 1 10640.56 10182.62 255.07 o
6 6 1 7394.59 7103.95 222.73 o
7 6 1 8867.29 8604.88 246.25 o
8 6 1 2476.00 2914.02 165.66 o
9 6 1 6426.19 6980.02 247.29 o
10 6 1 2033.78 2118.89 147.11 o
-10 7 1 2218.53 2412.42 163.02 o
-9 7 1 2641.22 2424.08 161.48 o
-8 7 1 3758.22 3713.63 176.69 o
-7 7 1 3417.35 3209.39 154.29 o
-6 7 1 8734.85 7495.01 221.88 o
-5 7 1 5809.80 5956.99 206.32 o
-4 7 1 8244.24 8489.35 269.95 o
-3 7 1 6406.36 5458.09 184.36 o
-2 7 1 3847.54 3795.59 126.83 o
-1 7 1 7145.09 7266.79 152.41 o
0 7 1 3565.70 3827.85 78.24 o
1 7 1 7208.43 7655.54 160.49 o
2 7 1 3877.60 4036.75 132.36 o
3 7 1 6438.36 6071.07 188.72 o
4 7 1 8272.73 9272.19 276.65 o
5 7 1 5857.96 5764.27 206.35 o
6 7 1 8759.22 8918.55 250.43 o
7 7 1 3433.74 3531.50 170.77 o
8 7 1 3728.64 3967.08 181.76 o
9 7 1 2624.61 2668.41 169.09 o
10 7 1 2226.50 2380.04 165.30 o
-9 8 1 1190.87 1205.89 85.08 o
-8 8 1 900.88 836.14 50.57 o
-7 8 1 1379.19 1339.66 81.28 o
-6 8 1 2466.26 2422.72 147.94 o
-5 8 1 6768.62 6445.96 227.57 o
-4 8 1 2483.50 2721.67 167.87 o
-3 8 1 15899.05 15066.57 297.30 o
-2 8 1 6700.32 6967.95 176.74 o
-1 8 1 9732.97 9676.67 192.81 o
0 8 1 26640.37 29363.54 925.05 o
1 8 1 9797.72 10453.57 200.25 o
2 8 1 6788.39 6676.64 179.64 o
3 8 1 15741.98 15686.57 306.48 o
4 8 1 2454.33 2835.40 164.65 o
5 8 1 6634.22 6549.68 242.22 o
6 8 1 2451.31 2515.10 149.53 o
7 8 1 1372.90 1270.89 79.95 o
8 8 1 913.17 918.94 56.16 o
9 8 1 1195.49 1261.82 87.08 o
-8 9 1 19.29 70.40 88.59 o
-7 9 1 155.55 221.48 39.86 o
-6 9 1 660.75 699.85 52.15 o
-5 9 1 1255.00 1377.79 97.26 o
-4 9 1 5044.14 5292.77 212.65 o
-3 9 1 3837.50 3521.61 160.54 o
-2 9 1 5302.75 5619.64 173.68 o
-1 9 1 9734.68 10415.57 214.35 o
0 9 1 8425.33 9761.07 143.01 o
1 9 1 9746.94 10617.31 221.87 o
2 9 1 5328.40 5826.38 175.04 o
3 9 1 3936.77 3918.26 169.31 o
4 9 1 5064.37 4755.20 210.64 o
5 9 1 1283.88 1541.78 112.19 o
6 9 1 654.90 669.24 52.68 o
7 9 1 152.41 109.35 101.11 o
8 9 1 19.87 134.68 98.02 o
-8 10 1 310.97 340.36 44.52 o
-7 10 1 879.87 922.55 70.66 o
-6 10 1 1405.04 1503.03 99.53 o
-5 10 1 1434.90 1357.72 92.75 o
-4 10 1 4467.08 4536.80 207.32 o
-3 10 1 3027.62 3353.72 159.01 o
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0 10 1 10012.51 10705.95 592.39 o
1 10 1 6349.04 6604.48 191.15 o
2 10 1 5019.63 5047.88 180.60 o
3 10 1 3037.67 3109.79 158.35 o
4 10 1 4476.07 4422.23 205.85 o
5 10 1 1417.33 1519.71 108.07 o
6 10 1 1406.48 1564.06 113.92 o
7 10 1 878.60 857.74 60.41 o
8 10 1 317.79 338.37 48.78 o
-7 11 1 908.15 1025.12 82.10 o
-6 11 1 4105.60 4120.55 204.71 o
-5 11 1 2497.65 2804.62 171.22 o
-4 11 1 3312.27 3713.15 194.19 o
-3 11 1 2827.60 2834.44 166.07 o
-2 11 1 2316.51 2324.26 140.92 o
-1 11 1 2423.96 2527.66 134.69 o
0 11 1 3563.65 3488.28 123.15 o
1 11 1 2393.27 2431.14 136.95 o
2 11 1 2323.59 2721.55 149.07 o
3 11 1 2809.04 2818.14 170.61 o
4 11 1 3290.07 3709.35 189.23 o
5 11 1 2486.17 2896.57 181.23 o
6 11 1 4078.19 4400.04 223.99 o
7 11 1 916.12 906.31 67.46 o
-6 12 1 2387.18 2419.90 153.88 o
-5 12 1 4747.40 4929.88 266.40 o
-4 12 1 2062.52 1854.56 123.94 o
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-1 12 1 451.98 446.73 45.74 o
0 12 1 56.68 82.50 36.63 o
1 12 1 440.37 427.97 46.67 o
2 12 1 667.13 709.13 64.65 o
3 12 1 2575.71 2911.26 176.73 o
4 12 1 2049.16 2023.94 124.74 o
5 12 1 4714.95 5243.68 270.67 o
6 12 1 2363.71 2497.05 165.62 o
-4 13 1 1613.57 1499.02 97.14 o
-3 13 1 1602.52 1937.81 135.93 o
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0 13 1 1021.44 1182.61 115.67 o
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2 13 1 720.57 674.69 55.60 o
3 13 1 1608.87 1667.70 107.68 o
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0 14 1 3808.96 3824.03 342.73 o
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2 0 2 1797.65 2214.91 46.07 o
3 0 2 96810.54 95461.23 395.25 o
4 0 2 1819.49 2063.20 114.19 o
5 0 2 16676.54 17599.89 452.42 o
6 0 2 356.67 385.84 23.27 o
7 0 2 20.95 67.30 31.20 o
8 0 2 3.91 55.89 40.58 o
9 0 2 1070.93 978.16 97.08 o
10 0 2 207.99 238.04 63.25 o
11 0 2 1317.52 1624.30 91.56 o
-11 1 2 665.47 708.49 64.50 o
-10 1 2 751.13 816.73 62.26 o
-9 1 2 3202.60 3322.73 190.46 o
-8 1 2 289.13 427.87 40.54 o
-7 1 2 4359.67 4783.83 175.19 o
-6 1 2 4033.64 4115.08 151.49 o
-5 1 2 8689.68 8812.79 194.20 o
-4 1 2 21177.95 18999.99 263.38 o
-3 1 2 10767.89 10220.73 173.78 o
-2 1 2 23914.60 26047.55 269.64 o
-1 1 2 5064.74 7850.49 201.04 o
0 1 2 50112.31 58057.30 548.86 o
1 1 2 5030.27 6270.22 175.97 o
2 1 2 23950.17 25572.88 284.81 o
3 1 2 10641.88 10984.47 185.40 o
4 1 2 21099.49 22367.76 289.87 o
5 1 2 8551.75 8611.73 199.59 o
6 1 2 3988.78 4421.84 157.12 o
7 1 2 4338.54 4957.10 183.66 o
8 1 2 298.13 370.86 40.94 o
9 1 2 3180.26 3620.21 187.78 o
10 1 2 749.00 879.12 76.50 o
11 1 2 666.47 809.17 66.90 o
-11 2 2 353.53 429.44 62.20 o
-10 2 2 4533.99 4605.69 233.27 o
-9 2 2 423.86 452.97 55.04 o
-8 2 2 5525.08 5707.33 220.45 o
-7 2 2 689.85 764.73 53.63 o
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