#------------------------------------------------------------------------------
#$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $
#$Revision: 74188 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/86/2018637.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_2018637_Fobs
loop_
_publ_author_name
'Babaryk, Artem A.'
'Kozachkova, Alexandra N.'
'Tsaryk, Natalia V.'
'Dudko, Anatolij V.'
'Pekhnyo, Vasily I.'
_publ_section_title
;
 Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic
 (medronic) acid comprising `handbell-like' [Pd{\m-CH~2~(PO~3~)~2~}]~3~
 units
;
_journal_coeditor_code           KU3068
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m242
_journal_page_last               m245
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 128.934
_cell_angle_gamma                90.000
_cell_length_a                   23.6234
_cell_length_b                   12.5467
_cell_length_c                   16.0458
_exptl_crystal_F_000             2635.78
_reflns_d_resolution_high        0.8407
_[local]_cod_data_source_file    ku3068Isup3.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' twin4'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            654.40
_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'
'-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
2 0 0 92750.40 90161.50 1257.79 o
4 0 0 176723.50 165247.23 2293.91 o
6 0 0 8096.13 6937.27 133.81 o
8 0 0 70497.30 67736.68 877.90 o
10 0 0 191651.11 180839.77 2020.41 o
12 0 0 298084.44 293546.78 4559.76 o
14 0 0 357128.25 338934.94 5258.33 o
16 0 0 9767.76 10407.71 547.55 o
18 0 0 5166.31 6017.71 442.97 o
1 1 0 191849.13 172412.59 1900.70 o
3 1 0 104543.47 94590.05 902.28 o
5 1 0 8726.87 6164.87 100.38 o
7 1 0 328.67 213.09 29.25 o
9 1 0 160.51 300.83 33.43 o
11 1 0 267059.69 259236.50 2225.70 o
13 1 0 1324.83 1190.86 83.57 o
15 1 0 79866.13 78890.02 1312.11 o
17 1 0 4150.25 4162.13 250.73 o
19 1 0 5007.98 5461.83 442.96 o
0 2 0 31851.15 31868.29 508.85 o
2 2 0 69251.78 60761.70 659.40 o
4 2 0 180344.75 182644.38 1762.97 o
6 2 0 93875.91 90932.37 834.28 o
8 2 0 42404.23 40445.50 448.42 o
10 2 0 16373.31 16741.39 225.84 o
12 2 0 18903.69 18581.25 267.66 o
14 2 0 75.83 66.85 54.32 o
16 2 0 2879.63 2870.74 200.58 o
18 2 0 17080.85 17989.56 844.50 o
20 2 0 470.94 856.54 233.98 o
1 3 0 4570.52 3432.39 58.53 o
3 3 0 129098.38 120518.09 1076.66 o
5 3 0 356805.63 343651.09 3069.70 o
7 3 0 126631.74 117161.50 1075.30 o
9 3 0 64839.68 65579.67 687.93 o
11 3 0 51780.05 49045.58 624.22 o
13 3 0 408.78 463.79 71.03 o
15 3 0 38342.69 40549.11 1360.01 o
17 3 0 26183.47 27639.92 1095.73 o
19 3 0 53760.83 55677.41 1841.68 o
21 3 0 10023.07 11944.96 743.95 o
0 4 0 387277.59 392336.59 5075.26 o
2 4 0 99302.81 98665.27 835.25 o
4 4 0 138620.02 137416.47 1145.60 o
6 4 0 174172.66 178165.59 1594.92 o
8 4 0 177216.17 172214.55 1626.06 o
10 4 0 54214.08 51610.63 607.58 o
12 4 0 36559.82 34386.30 569.20 o
14 4 0 85556.29 80244.34 1236.92 o
16 4 0 13450.91 12954.72 698.11 o
18 4 0 22507.64 23273.64 1036.99 o
20 4 0 9769.54 11134.13 723.05 o
1 5 0 14037.75 12113.96 154.77 o
3 5 0 17917.90 17028.59 200.83 o
5 5 0 4.77 142.06 29.25 o
7 5 0 31317.37 31253.28 401.86 o
9 5 0 348.54 350.98 54.32 o
11 5 0 23821.39 22896.99 393.19 o
13 5 0 3951.58 3819.51 213.12 o
15 5 0 1949.21 1876.15 204.75 o
17 5 0 2961.39 3359.62 376.08 o
19 5 0 550.05 380.22 213.09 o
0 6 0 36259.51 34966.98 548.72 o
2 6 0 29933.73 28305.82 301.44 o
4 6 0 89355.79 89824.19 865.55 o
6 6 0 14.56 29.25 33.43 o
8 6 0 54630.34 52936.52 624.31 o
10 6 0 15898.50 15303.52 347.05 o
12 6 0 7026.72 6758.14 246.59 o
14 6 0 21373.81 20113.55 627.24 o
16 6 0 615.60 447.08 150.42 o
18 6 0 9127.41 9098.63 656.17 o
1 7 0 24630.60 23699.88 292.90 o
3 7 0 177807.61 175837.19 1599.59 o
5 7 0 71505.41 69494.59 708.83 o
7 7 0 121073.45 117523.45 1256.78 o
9 7 0 39988.32 38161.91 510.67 o
11 7 0 29694.88 28534.71 698.62 o
13 7 0 24907.62 24310.96 698.42 o
15 7 0 20445.39 21232.16 1011.85 o
17 7 0 31382.76 30348.08 1304.93 o
19 7 0 40356.35 42691.03 1677.52 o
0 8 0 4090.65 3945.07 171.34 o
2 8 0 17683.41 18011.97 255.10 o
4 8 0 32392.48 31717.64 493.82 o
6 8 0 44181.21 42509.35 619.66 o
8 8 0 77492.16 77198.69 1006.17 o
10 8 0 110.20 50.14 66.85 o
12 8 0 20.59 0.00 146.24 o
14 8 0 2616.91 2360.90 346.82 o
16 8 0 5247.99 4901.87 497.29 o
18 8 0 13971.98 14446.04 894.52 o
1 9 0 3376.11 3840.37 146.26 o
3 9 0 5463.92 5667.06 179.71 o
5 9 0 99.40 79.39 58.50 o
7 9 0 552.13 522.29 83.57 o
9 9 0 962.95 1086.37 150.42 o
11 9 0 15.27 125.35 167.13 o
13 9 0 8369.94 8408.97 635.27 o
15 9 0 895.20 772.99 254.88 o
17 9 0 2.34 104.45 196.38 o
0 10 0 130859.83 131106.31 2256.18 o
2 10 0 106336.54 104461.97 1317.84 o
4 10 0 1983.79 2018.23 146.25 o
6 10 0 1556.61 1383.07 129.53 o
8 10 0 5169.90 4993.93 296.71 o
10 10 0 24941.03 26467.52 1183.49 o
12 10 0 75712.66 77629.44 2484.04 o
14 10 0 34935.62 36399.48 1518.39 o
16 10 0 5267.89 5804.45 589.22 o
1 11 0 52914.10 52950.79 937.85 o
3 11 0 30678.43 29704.45 824.08 o
5 11 0 4231.12 4864.20 300.88 o
7 11 0 1395.58 1337.09 175.49 o
9 11 0 24174.97 24960.61 1166.70 o
11 11 0 21650.84 21692.05 1103.84 o
13 11 0 37753.08 37539.82 1572.87 o
0 12 0 30799.20 31726.99 1263.22 o
2 12 0 261.89 208.91 121.17 o
4 12 0 51.98 75.21 116.99 o
6 12 0 20625.56 19965.11 673.17 o
8 12 0 563.68 672.70 238.16 o
10 12 0 251.68 16.71 171.31 o
12 12 0 6717.81 7401.12 656.11 o
1 13 0 4296.89 4091.05 309.23 o
3 13 0 452.00 505.57 154.60 o
5 13 0 33859.27 33680.31 957.87 o
7 13 0 1395.48 1220.09 296.67 o
9 13 0 11648.23 11364.64 810.86 o
0 14 0 9090.17 9850.86 697.96 o
2 14 0 37931.22 38088.21 1066.72 o
4 14 0 393.77 376.04 154.60 o
6 14 0 30525.11 32089.43 1447.01 o
-21 1 1 721.60 898.33 305.02 o
-19 1 1 756.43 580.78 229.81 o
-17 1 1 1087.43 1165.77 196.38 o
-15 1 1 9836.31 9517.86 217.36 o
-13 1 1 38874.02 39063.17 452.13 o
-11 1 1 8694.29 8544.67 192.30 o
-9 1 1 13275.91 13057.01 188.20 o
-7 1 1 5518.96 6956.17 117.05 o
-5 1 1 15479.32 16525.58 184.22 o
-3 1 1 37318.61 36001.12 370.62 o
-1 1 1 17432.68 19949.19 277.31 o
1 1 1 53995.83 51625.29 443.99 o
3 1 1 3729.09 4564.95 96.15 o
5 1 1 11584.89 10038.96 138.04 o
7 1 1 1274.27 1044.65 71.04 o
9 1 1 21771.29 22391.14 301.23 o
11 1 1 2061.71 2515.54 167.15 o
13 1 1 73.80 259.05 104.46 o
15 1 1 8563.67 8810.61 480.65 o
17 1 1 15759.19 16713.77 727.41 o
-22 2 1 5109.45 4404.51 501.46 o
-20 2 1 1419.80 1098.92 275.77 o
-18 2 1 16087.72 16438.35 514.22 o
-16 2 1 8106.16 8793.83 326.01 o
-14 2 1 627.93 539.00 104.46 o
-12 2 1 30661.36 31182.66 435.24 o
-10 2 1 812.71 935.96 58.50 o
-8 2 1 56.52 225.62 33.43 o
-6 2 1 11812.81 10336.64 133.86 o
-4 2 1 15503.21 16547.19 184.23 o
-2 2 1 12526.85 12822.56 134.00 o
0 2 1 38266.68 39002.33 387.08 o
2 2 1 7760.85 7369.98 104.57 o
4 2 1 3725.00 4246.68 87.78 o
6 2 1 2.93 75.21 33.43 o
8 2 1 1349.91 1391.46 66.86 o
10 2 1 10634.83 10576.91 242.47 o
12 2 1 12161.36 12771.63 280.10 o
14 2 1 17375.14 17899.64 568.64 o
16 2 1 6996.05 6762.07 509.87 o
18 2 1 1861.18 2482.00 309.21 o
-21 3 1 5758.44 6427.24 509.83 o
-19 3 1 1765.55 1997.30 338.45 o
-17 3 1 15964.13 16292.29 505.87 o
-15 3 1 31750.22 32114.87 472.77 o
-13 3 1 26967.27 27034.41 439.28 o
-11 3 1 48394.63 48902.90 540.43 o
-9 3 1 1058.30 935.98 71.03 o
-7 3 1 61524.65 58164.24 516.44 o
-5 3 1 7825.33 7141.88 175.62 o
-3 3 1 55313.02 55072.96 437.42 o
-1 3 1 117632.96 126316.25 1081.91 o
1 3 1 12015.88 13096.92 184.11 o
3 3 1 86257.80 86063.59 779.64 o
5 3 1 1.82 146.24 116.99 o
7 3 1 11416.65 10557.97 154.71 o
9 3 1 18826.33 18533.16 317.88 o
11 3 1 9200.67 9229.57 275.88 o
13 3 1 2154.12 1813.50 192.21 o
15 3 1 5463.95 6469.20 505.67 o
17 3 1 7245.27 7296.97 505.69 o
19 3 1 430.39 601.67 284.12 o
-20 4 1 2485.01 2828.87 422.03 o
-18 4 1 318.25 0.00 246.52 o
-16 4 1 753.46 777.17 133.71 o
-14 4 1 17053.47 16758.60 367.95 o
-12 4 1 11592.48 10819.33 234.11 o
-10 4 1 11832.34 11497.71 179.78 o
-8 4 1 18768.89 19301.99 242.63 o
-6 4 1 6552.68 8168.34 121.23 o
-4 4 1 2640.21 3096.78 71.05 o
-2 4 1 12233.42 13256.81 142.23 o
0 4 1 5820.52 7173.95 112.88 o
2 4 1 6580.03 6308.67 104.52 o
4 4 1 3378.42 3439.57 87.77 o
6 4 1 3573.26 4363.08 112.84 o
8 4 1 343.47 405.29 66.85 o
10 4 1 10439.23 9635.73 250.82 o
12 4 1 31410.45 30057.41 527.18 o
14 4 1 87.48 8.36 146.24 o
16 4 1 8353.05 9286.72 568.40 o
18 4 1 7602.63 8638.48 593.45 o
20 4 1 6103.86 6402.19 514.01 o
-21 5 1 1290.05 1483.32 309.20 o
-19 5 1 7755.90 8132.86 576.74 o
-17 5 1 81.70 0.00 158.77 o
-15 5 1 2478.68 1984.84 288.32 o
-13 5 1 4685.60 4592.79 154.63 o
-11 5 1 10299.61 9644.00 225.74 o
-9 5 1 8.40 25.07 108.63 o
-7 5 1 81474.84 82269.83 755.96 o
-5 5 1 5241.34 5676.13 142.11 o
-3 5 1 12823.16 13701.58 184.03 o
-1 5 1 11123.82 11412.66 167.28 o
1 5 1 32601.40 33331.54 314.17 o
3 5 1 42899.45 43814.31 423.31 o
5 5 1 1936.48 1391.51 171.33 o
7 5 1 33887.63 32945.27 355.83 o
9 5 1 12768.36 13387.09 271.76 o
11 5 1 1319.42 1320.39 137.89 o
13 5 1 1715.44 1679.75 271.60 o
15 5 1 521.81 543.18 196.38 o
17 5 1 206.84 0.00 271.58 o
19 5 1 173.40 62.67 238.16 o
-20 6 1 2010.83 1525.14 409.49 o
-18 6 1 39844.57 40331.63 1418.30 o
-16 6 1 32658.22 34276.83 1346.98 o
-14 6 1 347.65 229.80 179.67 o
-12 6 1 88048.44 86352.74 1044.39 o
-10 6 1 3379.42 3113.27 142.08 o
-8 6 1 125507.55 121626.64 1165.20 o
-6 6 1 1922.63 1872.05 142.08 o
-4 6 1 174477.27 171470.13 1352.09 o
-2 6 1 3612.30 3560.70 162.99 o
0 6 1 81183.73 78942.17 668.00 o
2 6 1 18159.93 17949.88 372.30 o
4 6 1 59278.91 58611.09 528.33 o
6 6 1 15520.20 15731.69 367.99 o
8 6 1 10674.92 11019.50 213.20 o
10 6 1 43977.11 43512.63 686.56 o
12 6 1 7507.78 7230.46 359.43 o
14 6 1 42299.66 42963.99 1506.48 o
16 6 1 3998.19 2841.56 580.85 o
18 6 1 11723.33 11502.62 714.73 o
-19 7 1 29003.25 31996.54 1288.06 o
-17 7 1 363.48 422.00 229.80 o
-15 7 1 25542.16 26234.24 1049.70 o
-13 7 1 121.45 0.00 259.05 o
-11 7 1 57465.04 55448.32 712.06 o
-9 7 1 438.18 622.56 175.49 o
-7 7 1 40611.00 38800.16 452.19 o
-5 7 1 24697.37 24592.96 364.00 o
-3 7 1 7996.66 8113.65 133.76 o
-1 7 1 36363.39 37056.65 464.78 o
1 7 1 1054.85 902.55 71.03 o
3 7 1 82163.45 80884.76 751.30 o
5 7 1 17333.15 17614.35 288.55 o
7 7 1 50607.08 48814.02 624.05 o
9 7 1 3591.06 3313.83 263.27 o
11 7 1 29802.35 29273.77 807.35 o
13 7 1 540.78 0.00 359.33 o
15 7 1 613.01 676.88 233.98 o
17 7 1 1263.51 743.75 488.87 o
-18 8 1 18.19 0.00 330.08 o
-16 8 1 1354.58 1266.05 279.95 o
-14 8 1 2815.25 2749.53 451.29 o
-12 8 1 9301.55 9492.13 326.02 o
-10 8 1 5995.00 5742.29 196.42 o
-8 8 1 40048.05 39714.50 548.33 o
-6 8 1 33712.38 33170.21 443.61 o
-4 8 1 26990.85 27128.45 389.10 o
-2 8 1 1826.54 1525.19 112.82 o
0 8 1 13125.82 12919.46 204.87 o
2 8 1 7966.47 8284.54 192.27 o
4 8 1 1452.31 1408.15 142.07 o
6 8 1 72.59 217.27 142.06 o
8 8 1 3361.40 3363.93 192.22 o
10 8 1 802.28 668.53 208.92 o
12 8 1 18380.83 17535.08 848.74 o
14 8 1 26.91 0.00 175.48 o
16 8 1 11414.89 11021.89 710.55 o
-17 9 1 6.35 0.00 233.98 o
-15 9 1 71480.22 74327.46 2194.60 o
-13 9 1 47450.53 44886.92 1544.36 o
-11 9 1 45201.30 44222.70 975.19 o
-9 9 1 3735.90 3865.42 334.31 o
-7 9 1 12548.70 12959.38 275.91 o
-5 9 1 13696.46 13721.28 309.38 o
-3 9 1 27459.35 26464.87 460.19 o
-1 9 1 85794.41 85610.61 1094.88 o
1 9 1 36365.82 36625.03 552.45 o
3 9 1 21592.24 22157.61 388.95 o
5 9 1 1498.35 1362.18 129.53 o
7 9 1 50912.61 49182.87 887.61 o
9 9 1 1089.50 940.13 501.40 o
11 9 1 13401.74 11850.88 869.48 o
13 9 1 539.96 0.00 664.35 o
15 9 1 5551.95 5349.03 509.83 o
-16 10 1 22474.08 21340.45 1103.82 o
-14 10 1 36903.79 39481.73 1459.96 o
-12 10 1 50716.99 47589.98 1686.79 o
-10 10 1 23791.17 23263.66 664.91 o
-8 10 1 45932.51 45254.94 899.91 o
-6 10 1 97.17 154.59 175.49 o
-4 10 1 117422.39 114722.84 1444.32 o
-2 10 1 29493.30 28945.10 531.29 o
0 10 1 60808.94 59215.29 791.72 o
2 10 1 34997.27 35855.29 723.88 o
4 10 1 18378.09 17318.98 405.59 o
6 10 1 20372.13 19987.59 577.05 o
8 10 1 3173.49 3413.99 513.98 o
10 10 1 30894.30 30759.66 1367.75 o
12 10 1 1463.96 309.20 522.30 o
14 10 1 12371.63 13245.83 890.30 o
-15 11 1 6181.96 6515.05 605.95 o
-13 11 1 80.35 33.43 263.23 o
-11 11 1 6543.01 6791.08 589.26 o
-9 11 1 6373.46 6594.68 376.12 o
-7 11 1 3204.09 2895.83 250.72 o
-5 11 1 14499.74 15497.11 472.40 o
-3 11 1 1397.48 1462.45 162.96 o
-1 11 1 559.62 584.96 129.53 o
1 11 1 520.04 693.59 137.88 o
3 11 1 9941.50 9513.18 438.88 o
5 11 1 3517.96 3422.39 259.08 o
7 11 1 7841.54 9119.37 656.16 o
9 11 1 5346.27 6464.85 585.05 o
11 11 1 5341.22 5415.88 526.54 o
13 11 1 2557.19 2728.58 451.28 o
-12 12 1 3281.95 2845.65 472.19 o
-10 12 1 2090.57 2147.74 392.78 o
-8 12 1 46203.89 44521.48 1071.29 o
-6 12 1 349.69 388.58 167.13 o
-4 12 1 35003.32 35600.88 899.43 o
-2 12 1 515.96 547.35 233.98 o
0 12 1 14875.89 15258.62 539.28 o
2 12 1 1063.05 1387.21 338.45 o
4 12 1 1214.93 1295.30 192.21 o
6 12 1 7440.55 7836.10 785.70 o
8 12 1 1813.45 1901.19 359.35 o
10 12 1 7089.25 7468.11 631.05 o
-11 13 1 27485.37 30434.46 1333.96 o
-9 13 1 31740.04 31346.95 1413.64 o
-7 13 1 33841.71 31981.57 886.75 o
-5 13 1 32223.79 32101.92 941.10 o
-3 13 1 34447.90 35334.09 974.65 o
-1 13 1 38252.93 40242.00 1075.18 o
1 13 1 26058.12 25940.07 832.19 o
3 13 1 32981.56 33211.20 949.49 o
5 13 1 4627.08 5223.53 676.97 o
7 13 1 29400.27 31984.57 1438.64 o
9 13 1 4179.55 3648.03 647.70 o
-8 14 1 37040.57 38056.02 1564.40 o
-6 14 1 10945.35 11172.12 534.99 o
-4 14 1 29251.15 30211.10 882.41 o
-2 14 1 791.69 601.68 250.70 o
0 14 1 13314.03 13752.08 555.94 o
2 14 1 6826.63 6456.70 702.09 o
4 14 1 10515.95 10917.02 794.12 o
6 14 1 19812.28 18859.22 1162.24 o
-22 0 2 7436.48 8370.93 631.06 o
-20 0 2 9975.54 10666.49 606.05 o
-18 0 2 12589.64 13861.65 627.03 o
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-14 0 2 106576.30 104349.55 1604.54 o
-12 0 2 316614.38 319100.75 3906.31 o
-10 0 2 42.30 1458.20 183.84 o
-8 0 2 46744.65 40765.45 541.30 o
-6 0 2 49.30 175.49 45.96 o
0 0 2 94808.15 98448.59 1958.75 o
2 0 2 125092.48 124417.20 1389.02 o
4 0 2 35850.77 38797.97 532.46 o
6 0 2 117497.45 115286.60 1348.63 o
8 0 2 3711.99 1074.04 785.68 o
10 0 2 1251.05 1224.29 476.34 o
12 0 2 192.52 346.79 835.65 o
-23 1 2 38393.11 39865.34 1610.51 o
-21 1 2 652.50 718.67 196.38 o
-19 1 2 35536.27 38803.20 907.85 o
-17 1 2 2247.52 2047.50 167.14 o
-15 1 2 94323.18 92517.27 1036.50 o
-13 1 2 56130.41 56587.48 616.04 o
-11 1 2 11162.84 11698.93 200.70 o
-9 1 2 29569.97 29047.77 318.29 o
-7 1 2 1367.96 1496.01 54.32 o
-5 1 2 91834.03 98850.88 838.19 o
-3 1 2 379.53 242.35 33.43 o
-1 1 2 82966.60 85049.93 969.13 o
1 1 2 5990.18 5470.07 83.64 o
3 1 2 48169.31 47375.45 428.40 o
5 1 2 62956.96 63176.74 554.37 o
7 1 2 15744.46 16253.28 238.40 o
9 1 2 32086.75 31789.22 477.15 o
11 1 2 2142.65 1821.88 284.15 o
13 1 2 8356.94 8752.18 317.65 o
15 1 2 20785.89 21204.01 919.91 o
-22 2 2 5106.99 4404.54 484.75 o
-20 2 2 20362.19 21654.14 744.24 o
-18 2 2 6488.94 6962.60 355.23 o
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