#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/01/2230185.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_2230185_Fobs
loop_
_publ_author_name
'Lush, Shie Fu'
'Shen, Fwu Ming'
_publ_section_title
;
 Poly[[octaaquatetrakis(\m~3~-pyridine-2,5-dicarboxylato)copper(II)diytterbium(III)]
 monohydrate]
;
_journal_coeditor_code           XU5183
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m615
_journal_page_last               m616
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.529
_cell_angle_beta                 76.216
_cell_angle_gamma                78.117
_cell_length_a                   7.7120
_cell_length_b                   9.2713
_cell_length_c                   13.2452
_exptl_crystal_F_000             595.00
_reflns_d_resolution_high        0.8347
_[local]_cod_data_source_file    xu5183Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ap06m in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            210.70
_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'
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
1 0 0 30412.86 31020.77 383.39 o
2 0 0 7872.35 8036.27 138.84 o
3 0 0 3505.30 3724.23 60.70 o
4 0 0 1534.40 1747.12 79.46 o
5 0 0 299.64 390.97 33.23 o
6 0 0 7.90 87.29 31.81 o
7 0 0 623.08 624.01 56.96 o
8 0 0 329.89 325.39 43.89 o
-8 1 0 720.29 746.46 60.08 o
-7 1 0 715.17 780.82 53.19 o
-6 1 0 1.17 80.53 46.28 o
-5 1 0 116.80 186.75 31.02 o
-4 1 0 700.54 779.24 37.10 o
-3 1 0 1549.67 1495.05 23.95 o
-2 1 0 6604.12 6337.72 130.24 o
-1 1 0 8982.92 8843.48 58.07 o
0 1 0 6000.53 5498.34 96.61 o
1 1 0 9679.08 10010.43 64.61 o
2 1 0 1908.06 2118.70 32.51 o
3 1 0 564.16 565.78 25.21 o
4 1 0 2281.92 2572.00 56.42 o
5 1 0 440.26 372.39 25.95 o
6 1 0 1611.05 1519.99 45.67 o
7 1 0 1889.78 1710.90 66.59 o
8 1 0 4192.38 3855.65 260.77 o
-8 2 0 16.42 194.98 66.03 o
-7 2 0 665.70 710.63 80.64 o
-6 2 0 1883.03 1688.40 86.46 o
-5 2 0 3033.82 2895.01 101.37 o
-4 2 0 7582.48 7271.50 238.00 o
-3 2 0 15803.23 15457.48 364.60 o
-2 2 0 20763.60 20495.87 171.93 o
-1 2 0 15459.75 14776.56 79.02 o
0 2 0 13061.68 12512.22 453.16 o
1 2 0 5907.33 6058.91 75.52 o
2 2 0 633.87 714.87 29.00 o
3 2 0 109.44 155.28 17.27 o
4 2 0 427.24 476.60 24.23 o
5 2 0 1387.14 1288.90 79.48 o
6 2 0 1545.97 1447.61 57.41 o
7 2 0 1793.66 1663.87 97.13 o
8 2 0 1116.28 992.26 133.86 o
-8 3 0 96.96 276.87 57.24 o
-7 3 0 22.03 224.39 67.41 o
-6 3 0 2601.39 2752.82 85.33 o
-5 3 0 3125.57 2909.93 138.12 o
-4 3 0 4414.51 3947.60 83.97 o
-3 3 0 8209.98 7766.77 149.40 o
-2 3 0 19709.64 21188.55 625.39 o
-1 3 0 9956.45 9692.81 70.59 o
0 3 0 2469.16 2535.42 77.32 o
1 3 0 1.55 130.68 14.73 o
2 3 0 1578.26 1715.43 35.06 o
3 3 0 3862.11 3825.50 75.20 o
4 3 0 5581.33 5661.05 133.06 o
5 3 0 6323.98 6025.38 446.10 o
6 3 0 4720.92 4638.79 179.03 o
7 3 0 6483.98 6134.59 473.67 o
8 3 0 2407.44 2422.80 86.53 o
-7 4 0 1687.23 1621.82 159.24 o
-6 4 0 1991.52 2115.95 119.93 o
-5 4 0 6494.31 6284.56 193.45 o
-4 4 0 4323.33 4354.71 92.80 o
-3 4 0 11171.41 10740.60 203.41 o
-2 4 0 7359.87 7325.10 79.01 o
-1 4 0 3897.96 4223.44 51.86 o
0 4 0 1007.71 1101.66 27.66 o
1 4 0 1449.62 1745.38 40.68 o
2 4 0 4535.91 5402.77 56.65 o
3 4 0 1035.64 950.13 47.58 o
4 4 0 2666.05 2668.47 92.47 o
5 4 0 1660.03 1411.33 50.96 o
6 4 0 1862.61 1878.63 66.15 o
7 4 0 1465.52 1463.67 110.14 o
8 4 0 755.56 841.08 56.89 o
-7 5 0 570.75 463.89 88.29 o
-6 5 0 1236.59 1410.82 221.99 o
-5 5 0 3150.78 3087.41 89.39 o
-4 5 0 3275.21 3406.14 88.06 o
-3 5 0 2258.61 2344.31 210.55 o
-2 5 0 548.67 512.43 35.37 o
-1 5 0 1674.15 1688.56 38.02 o
0 5 0 969.53 1125.01 31.94 o
1 5 0 8560.53 7971.96 74.95 o
2 5 0 4589.05 4512.78 149.34 o
3 5 0 8255.64 8326.83 181.72 o
4 5 0 9855.65 10632.93 314.33 o
5 5 0 11916.19 11798.52 356.17 o
6 5 0 2194.46 2206.55 73.15 o
7 5 0 1910.05 1958.36 154.14 o
8 5 0 755.59 848.64 155.77 o
-6 6 0 2654.74 2805.39 147.33 o
-5 6 0 3693.35 3509.05 155.05 o
-4 6 0 4942.30 4755.36 109.28 o
-3 6 0 2919.51 3286.54 86.31 o
-2 6 0 511.04 622.98 30.33 o
-1 6 0 358.60 332.09 26.56 o
0 6 0 484.53 626.62 29.05 o
1 6 0 1632.78 1491.68 37.08 o
2 6 0 1879.74 1749.61 52.27 o
3 6 0 2822.49 2735.40 63.46 o
4 6 0 3172.85 3040.45 83.07 o
5 6 0 3620.68 3755.24 82.27 o
6 6 0 2871.45 2614.55 127.60 o
7 6 0 123.20 237.43 58.19 o
8 6 0 13.65 144.24 43.97 o
-5 7 0 347.93 500.18 77.73 o
-4 7 0 25.30 163.98 62.15 o
-3 7 0 587.35 722.84 89.62 o
-2 7 0 1912.28 1944.97 57.78 o
-1 7 0 2688.14 2462.66 53.12 o
0 7 0 7941.69 7874.61 166.27 o
1 7 0 5327.56 5612.95 99.22 o
2 7 0 5546.77 4937.10 87.71 o
3 7 0 4600.81 4675.74 147.84 o
4 7 0 4637.48 4250.01 121.14 o
5 7 0 3338.61 3436.20 126.39 o
6 7 0 1156.53 1120.53 50.27 o
7 7 0 289.60 359.76 61.74 o
-4 8 0 163.16 279.40 82.48 o
-3 8 0 81.84 209.92 69.10 o
-2 8 0 542.28 725.09 152.08 o
-1 8 0 8289.70 8374.31 256.44 o
0 8 0 3128.28 3153.63 66.38 o
1 8 0 2673.15 3026.70 108.25 o
2 8 0 3697.90 3495.63 79.70 o
3 8 0 1966.81 2158.21 75.69 o
4 8 0 531.88 548.18 63.61 o
5 8 0 12.15 119.00 40.18 o
6 8 0 76.11 151.48 41.05 o
-3 9 0 1414.46 1542.04 113.04 o
-2 9 0 2422.99 2697.36 185.48 o
-1 9 0 2284.62 2757.34 69.15 o
0 9 0 4567.18 4440.10 92.35 o
1 9 0 3304.34 3589.40 85.58 o
2 9 0 2795.62 2942.88 98.14 o
3 9 0 1588.81 1798.89 91.12 o
4 9 0 1599.23 1682.64 82.29 o
5 9 0 288.08 403.59 55.20 o
6 9 0 1.11 123.42 78.78 o
0 10 0 964.13 994.09 97.92 o
1 10 0 1218.89 1413.05 76.50 o
2 10 0 712.97 753.06 108.58 o
3 10 0 239.00 231.08 53.99 o
4 10 0 35.52 53.61 53.24 o
-4 -10 1 2170.34 2148.83 98.86 o
-3 -10 1 3787.57 3683.70 121.83 o
-2 -10 1 2786.49 2865.32 106.14 o
-1 -10 1 1428.19 1626.66 117.51 o
0 -10 1 1160.96 1137.33 74.71 o
1 -10 1 314.41 585.55 95.78 o
-5 -9 1 1682.83 1777.78 77.72 o
-4 -9 1 2205.17 2113.40 72.64 o
-3 -9 1 1862.74 1895.30 68.22 o
-2 -9 1 2426.49 2371.49 72.67 o
-1 -9 1 872.95 1204.53 216.19 o
0 -9 1 51.77 208.67 50.91 o
1 -9 1 7.22 58.81 50.60 o
2 -9 1 81.73 290.71 57.67 o
3 -9 1 581.30 771.72 96.76 o
-6 -8 1 2847.50 2888.52 82.91 o
-5 -8 1 2816.58 3042.42 128.01 o
-4 -8 1 3959.36 3667.17 139.08 o
-3 -8 1 3856.96 3604.18 83.80 o
-2 -8 1 2264.75 2159.39 65.72 o
-1 -8 1 524.56 631.66 61.62 o
0 -8 1 166.19 528.29 105.20 o
1 -8 1 673.08 987.78 51.05 o
2 -8 1 1651.29 1798.05 74.24 o
3 -8 1 2495.40 2648.24 130.35 o
4 -8 1 1984.56 1745.94 116.16 o
-7 -7 1 872.53 894.68 61.47 o
-6 -7 1 1339.84 1309.84 53.95 o
-5 -7 1 2910.66 2941.12 145.41 o
-4 -7 1 1982.08 2003.11 158.52 o
-3 -7 1 375.88 435.37 43.21 o
-2 -7 1 37.52 90.05 32.00 o
-1 -7 1 827.92 956.70 44.78 o
0 -7 1 742.17 686.26 33.34 o
1 -7 1 1669.70 1801.23 47.00 o
2 -7 1 5399.44 5387.42 141.96 o
3 -7 1 2809.26 2930.75 92.01 o
4 -7 1 4646.16 4693.77 174.87 o
5 -7 1 3126.10 2922.80 148.40 o
-7 -6 1 2594.01 2549.66 89.12 o
-6 -6 1 1969.94 1970.91 61.51 o
-5 -6 1 5071.29 4740.62 102.44 o
-4 -6 1 3007.91 3366.31 73.58 o
-3 -6 1 1350.17 1230.31 59.28 o
-2 -6 1 177.64 232.96 41.37 o
-1 -6 1 985.76 1226.27 35.19 o
0 -6 1 572.47 660.69 30.53 o
1 -6 1 1394.67 1474.58 58.45 o
2 -6 1 2436.87 2522.68 97.58 o
3 -6 1 2912.14 2752.26 65.16 o
4 -6 1 2156.10 2329.58 119.65 o
5 -6 1 1587.39 1606.89 108.07 o
6 -6 1 135.33 239.02 76.45 o
-8 -5 1 978.11 1069.36 66.21 o
-7 -5 1 2008.20 2021.17 113.58 o
-6 -5 1 1928.68 2052.88 137.46 o
-5 -5 1 468.00 412.96 31.59 o
-4 -5 1 74.46 87.13 24.96 o
-3 -5 1 897.42 989.35 42.22 o
-2 -5 1 5165.93 4932.06 106.38 o
-1 -5 1 17453.05 18618.60 457.10 o
0 -5 1 13234.03 13682.59 105.72 o
1 -5 1 13844.65 13830.09 196.92 o
2 -5 1 8756.17 8838.04 86.62 o
3 -5 1 8458.61 7870.02 120.71 o
4 -5 1 3724.12 4078.33 141.89 o
5 -5 1 2180.87 1966.07 112.90 o
6 -5 1 77.87 142.30 65.23 o
7 -5 1 40.28 133.83 79.23 o
-8 -4 1 1118.51 1182.48 66.51 o
-7 -4 1 776.61 901.85 54.57 o
-6 -4 1 1340.90 1460.02 52.99 o
-5 -4 1 841.07 960.60 38.51 o
-4 -4 1 41.08 94.17 22.96 o
-3 -4 1 1255.52 1267.00 50.00 o
-2 -4 1 1343.37 1306.28 40.80 o
-1 -4 1 3608.29 2616.11 49.77 o
0 -4 1 10166.80 10866.06 103.17 o
1 -4 1 8364.92 8132.39 123.50 o
2 -4 1 5902.22 6283.56 126.87 o
3 -4 1 2624.75 2461.88 80.49 o
4 -4 1 14.67 167.96 76.30 o
5 -4 1 238.92 476.97 66.38 o
6 -4 1 25.99 126.78 58.58 o
7 -4 1 567.91 628.21 83.27 o
-8 -3 1 172.53 257.97 45.59 o
-7 -3 1 120.05 168.10 37.79 o
-6 -3 1 5.16 3.92 37.52 o
-5 -3 1 605.06 620.99 69.10 o
-4 -3 1 3350.96 3410.88 100.19 o
-3 -3 1 10668.85 10514.63 358.64 o
-2 -3 1 6664.99 6666.84 142.80 o
-1 -3 1 36656.20 34750.46 289.15 o
0 -3 1 12699.87 12255.01 279.59 o
1 -3 1 7976.44 7315.03 164.92 o
2 -3 1 8015.29 8005.59 72.74 o
3 -3 1 1587.30 1594.67 47.29 o
4 -3 1 1156.55 1119.39 47.80 o
5 -3 1 30.78 128.09 33.43 o
6 -3 1 1578.18 1791.45 66.80 o
7 -3 1 244.71 275.24 68.56 o
8 -3 1 536.99 552.98 97.37 o
-8 -2 1 1759.22 1584.95 225.85 o
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-6 -2 1 361.33 389.37 39.73 o
-5 -2 1 1288.40 1270.10 72.88 o
-4 -2 1 6634.06 7194.75 136.74 o
-3 -2 1 11059.22 10934.17 108.25 o
-2 -2 1 8984.94 9236.30 101.88 o
-1 -2 1 18773.51 19287.80 135.84 o
0 -2 1 7664.47 7812.07 149.49 o
1 -2 1 4047.35 4593.19 58.67 o
2 -2 1 1044.10 977.82 20.73 o
3 -2 1 1181.34 1299.40 37.29 o
4 -2 1 529.51 643.74 35.67 o
5 -2 1 1370.86 1406.59 54.16 o
6 -2 1 2573.15 2817.12 158.40 o
7 -2 1 4433.27 4428.50 108.83 o
8 -2 1 2487.85 2577.58 92.57 o
-8 -1 1 8.25 56.49 49.04 o
-7 -1 1 441.42 423.92 42.44 o
-6 -1 1 4649.73 4584.73 159.19 o
-5 -1 1 8212.35 8154.23 93.85 o
-4 -1 1 13710.59 13925.08 245.56 o
-3 -1 1 21083.85 21390.93 287.92 o
-2 -1 1 11831.46 12127.41 94.80 o
-1 -1 1 1748.70 1748.92 39.58 o
0 -1 1 17331.39 18846.19 235.64 o
1 -1 1 8725.45 10424.25 170.12 o
2 -1 1 2030.05 2103.51 46.15 o
3 -1 1 1397.53 1469.74 48.25 o
4 -1 1 1633.05 1604.41 41.24 o
5 -1 1 364.62 359.23 34.74 o
6 -1 1 1280.87 1276.27 56.52 o
7 -1 1 2432.85 2409.29 79.33 o
8 -1 1 1553.97 1566.86 74.93 o
-8 0 1 12.92 71.73 39.73 o
-7 0 1 385.21 417.16 35.39 o
-6 0 1 1412.34 1287.07 50.61 o
-5 0 1 3289.56 2999.54 154.91 o
-4 0 1 8420.74 8580.78 109.11 o
-3 0 1 3945.37 3465.29 59.16 o
-2 0 1 4177.96 4184.00 40.00 o
-1 0 1 5696.05 5944.60 119.41 o
0 0 1 36.23 71.65 3.94 o
1 0 1 702.97 690.99 11.67 o
2 0 1 18946.98 20997.91 169.02 o
3 0 1 10381.85 10612.82 103.73 o
4 0 1 20841.20 21507.96 183.78 o
5 0 1 4794.65 4457.16 85.69 o
6 0 1 5021.89 4642.24 112.58 o
7 0 1 1923.11 1859.24 70.22 o
8 0 1 1845.81 1832.65 81.27 o
-8 1 1 1407.47 1430.56 59.10 o
-7 1 1 2846.03 2699.84 86.94 o
-6 1 1 8965.69 8822.85 306.38 o
-5 1 1 12201.81 11331.52 147.21 o
-4 1 1 11962.61 11443.08 376.46 o
-3 1 1 14449.20 14117.34 195.27 o
-2 1 1 4127.29 4073.74 121.09 o
-1 1 1 8243.96 8634.48 105.81 o
0 1 1 494.95 629.58 42.75 o
1 1 1 858.28 957.53 33.66 o
2 1 1 152.73 273.33 18.50 o
3 1 1 1131.06 1139.30 33.45 o
4 1 1 6388.33 6252.36 87.91 o
5 1 1 5848.70 5970.47 125.67 o
6 1 1 3953.46 3733.50 205.62 o
7 1 1 1674.33 1623.50 67.18 o
8 1 1 515.48 488.12 46.32 o
9 1 1 196.50 216.42 51.03 o
-8 2 1 644.70 660.75 68.73 o
-7 2 1 1379.16 1285.16 66.64 o
-6 2 1 4134.09 4184.85 107.97 o
-5 2 1 3749.71 3314.76 82.66 o
-4 2 1 1285.31 1086.18 69.85 o
-3 2 1 167.82 143.67 24.41 o
-2 2 1 4659.34 5264.23 74.41 o
-1 2 1 4.70 76.27 11.26 o
0 2 1 7379.39 8186.44 163.45 o
1 2 1 11975.75 13226.73 138.09 o
2 2 1 8987.98 9666.06 60.10 o
3 2 1 9963.54 10015.87 177.98 o
4 2 1 14442.74 14470.51 184.20 o
5 2 1 10131.00 10026.71 412.48 o
6 2 1 6437.73 6298.74 202.59 o
7 2 1 2589.15 2606.68 135.23 o
8 2 1 455.14 431.14 48.63 o
9 2 1 95.99 147.50 57.44 o
-8 3 1 2278.66 2349.68 93.74 o
-7 3 1 4049.25 3995.68 111.15 o
-6 3 1 5026.75 4943.16 113.83 o
-5 3 1 4703.77 4491.49 137.09 o
-4 3 1 3372.60 3250.44 90.23 o
-3 3 1 1053.13 1106.28 176.75 o
-2 3 1 4757.54 5840.93 73.00 o
-1 3 1 1696.50 1838.19 47.73 o
0 3 1 3915.59 4122.29 55.06 o
1 3 1 4152.08 4449.88 107.23 o
2 3 1 6990.25 7890.99 176.41 o
3 3 1 8958.69 9480.52 169.90 o
4 3 1 3704.84 3759.72 52.64 o
5 3 1 1087.48 1138.70 67.33 o
6 3 1 845.39 844.85 45.25 o
7 3 1 83.42 198.90 72.29 o
8 3 1 601.01 609.06 89.30 o
9 3 1 606.74 653.60 59.85 o
-7 4 1 1095.87 1164.64 68.05 o
-6 4 1 806.00 847.87 136.91 o
-5 4 1 342.23 412.69 43.88 o
-4 4 1 34.23 122.39 36.07 o
-3 4 1 128.23 130.34 31.28 o
-2 4 1 479.65 513.93 28.12 o
-1 4 1 16883.45 17290.99 107.91 o
0 4 1 10662.04 10977.63 91.67 o
1 4 1 14128.91 13896.18 304.60 o
2 4 1 14005.21 14839.80 358.78 o
3 4 1 6039.15 5869.81 81.49 o
4 4 1 6043.26 5890.37 58.71 o
5 4 1 6447.99 6496.91 107.77 o
6 4 1 670.53 597.03 41.83 o
7 4 1 306.69 324.93 41.56 o
8 4 1 23.67 125.61 59.47 o
-7 5 1 1290.91 1445.84 118.02 o
-6 5 1 604.68 708.99 125.05 o
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-3 5 1 190.93 158.57 54.66 o
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-1 5 1 6533.46 6449.03 91.34 o
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1 5 1 5782.90 5359.18 79.04 o
2 5 1 2404.00 1987.29 35.96 o
3 5 1 3452.53 3711.00 110.58 o
4 5 1 3169.82 3098.98 60.49 o
5 5 1 174.32 234.85 33.01 o
6 5 1 4.35 39.84 55.55 o
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1 6 1 8711.83 9268.10 116.07 o
2 6 1 3774.62 3513.80 71.08 o
3 6 1 1601.26 1615.94 48.60 o
4 6 1 1919.25 1714.15 89.01 o
5 6 1 48.45 93.86 27.78 o
6 6 1 610.92 745.32 49.10 o
7 6 1 1325.68 1262.60 63.97 o
8 6 1 1363.68 1492.48 74.28 o
-5 7 1 424.36 400.21 74.98 o
-4 7 1 2279.74 2499.56 123.30 o
-3 7 1 1435.71 1716.01 93.18 o
-2 7 1 1541.75 1563.58 52.88 o
-1 7 1 1235.36 1372.30 74.22 o
0 7 1 2385.84 2198.57 58.12 o
1 7 1 1829.30 2207.20 50.64 o
2 7 1 296.34 334.63 33.25 o
3 7 1 4.36 49.95 29.51 o
4 7 1 9.30 112.20 36.99 o
5 7 1 906.09 1064.90 81.18 o
6 7 1 2436.94 2564.12 191.59 o
7 7 1 2151.75 2154.20 81.93 o
-4 8 1 2222.76 2134.38 131.56 o
-3 8 1 4253.19 4548.82 115.43 o
-2 8 1 6651.33 6658.58 134.31 o
-1 8 1 5450.99 6227.88 116.07 o
0 8 1 3855.04 3763.22 175.71 o
1 8 1 964.01 921.20 45.93 o
2 8 1 603.71 675.22 43.94 o
3 8 1 323.69 273.28 35.70 o
4 8 1 743.70 681.59 62.62 o
5 8 1 1532.58 1709.24 87.87 o
6 8 1 1499.67 1450.12 123.18 o
7 8 1 839.77 761.25 107.83 o
-3 9 1 1161.82 1176.86 100.53 o
-2 9 1 1156.65 1224.66 69.48 o
-1 9 1 918.48 1135.00 81.76 o
0 9 1 3.66 68.54 40.75 o
1 9 1 0.98 143.10 47.58 o
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