#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/65/2206568.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_2206568_Fobs
loop_
_publ_author_name
'Wu, Ping-Fan'
'Tan, Xiao-Feng'
'Meng, Xiang-Gao'
'Li, Dong-Sheng'
'Zhu, Yu-Lin'
'Wei, Yong-Ge'
_publ_section_title
;
 Bis(piperazinium) di-\m-chloro-bis[tetrachlorobismuthate(III)]
 trihydrate
;
_journal_coeditor_code           WK6053
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1506
_journal_page_last               m1508
_journal_volume                  61
_journal_year                    2005
_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                 115.067
_cell_angle_gamma                90.000
_cell_length_a                   14.3223
_cell_length_b                   15.7868
_cell_length_c                   13.5226
_exptl_crystal_F_000             1864.00
_reflns_d_resolution_high        0.7507
_[local]_cod_data_source_file    wk6053Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' C2C in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1060.26
_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 98975.23 122308.23 5560.75 o
4 0 0 6572.86 7825.13 314.39 o
6 0 0 124302.02 131042.59 4290.99 o
8 0 0 129957.68 136665.66 4499.76 o
10 0 0 35750.45 32459.22 2115.07 o
12 0 0 16734.82 16613.05 699.28 o
14 0 0 51712.97 52384.00 2488.60 o
16 0 0 31457.28 27087.08 1563.93 o
1 1 0 207.10 1188.57 119.81 o
3 1 0 4361.36 5296.71 172.38 o
5 1 0 12835.41 13094.16 348.26 o
7 1 0 87.23 184.55 45.64 o
9 1 0 871.47 680.60 89.68 o
11 1 0 6369.93 5908.46 242.60 o
13 1 0 1575.33 1531.51 153.35 o
15 1 0 603.88 498.45 152.16 o
0 2 0 348070.09 531933.31 24077.97 o
2 2 0 201729.66 191655.38 8562.17 o
4 2 0 141.79 464.32 61.47 o
6 2 0 143233.92 146845.97 3387.40 o
8 2 0 27528.33 28726.53 732.66 o
10 2 0 33509.79 32416.81 836.59 o
12 2 0 13312.12 13972.34 684.79 o
14 2 0 49056.39 47571.77 1745.51 o
16 2 0 35607.99 32938.43 1058.24 o
1 3 0 2643.39 3490.44 119.81 o
3 3 0 2323.76 2782.62 115.30 o
5 3 0 1574.51 1867.03 117.83 o
7 3 0 13.86 190.82 59.33 o
9 3 0 3761.98 3822.06 177.88 o
11 3 0 898.03 749.29 163.45 o
13 3 0 16.87 132.72 155.97 o
15 3 0 52.25 70.16 138.05 o
17 3 0 59.55 240.02 264.97 o
0 4 0 522346.59 687021.69 30989.39 o
2 4 0 68766.75 70540.19 5832.88 o
4 4 0 1075.19 1287.53 97.60 o
6 4 0 136662.94 137173.64 3179.55 o
8 4 0 49019.01 49737.36 1214.35 o
10 4 0 26350.21 25908.67 693.01 o
12 4 0 10179.64 9794.08 649.58 o
14 4 0 50347.02 50394.02 1833.63 o
16 4 0 31147.52 30229.01 1581.22 o
1 5 0 5855.89 6395.19 202.92 o
3 5 0 4364.64 4824.56 271.82 o
5 5 0 24664.21 25226.44 877.65 o
7 5 0 9385.26 8778.17 275.64 o
9 5 0 599.99 748.41 114.62 o
11 5 0 1797.62 1837.75 182.36 o
13 5 0 1423.25 1374.60 188.14 o
15 5 0 2889.78 2934.76 255.54 o
0 6 0 1124146.75 1292694.13 96789.36 o
2 6 0 116131.07 124109.16 7928.04 o
4 6 0 171.14 409.93 63.34 o
6 6 0 141819.98 146423.98 4988.56 o
8 6 0 99340.83 103420.44 2836.88 o
10 6 0 37505.54 39163.20 2230.34 o
12 6 0 10399.54 9929.17 565.42 o
14 6 0 41544.96 43977.66 1359.05 o
16 6 0 26185.12 26347.54 1839.41 o
1 7 0 2033.76 2276.98 107.58 o
3 7 0 2.66 235.85 111.51 o
5 7 0 687.42 570.02 78.67 o
7 7 0 1111.90 1284.07 119.36 o
9 7 0 1541.94 1825.63 243.60 o
11 7 0 4732.18 4596.47 1227.84 o
13 7 0 1752.20 2338.49 314.46 o
15 7 0 61.38 283.28 227.42 o
0 8 0 197013.20 214765.25 8897.72 o
2 8 0 76136.63 86136.94 2941.37 o
4 8 0 2115.15 2326.18 133.18 o
6 8 0 78257.54 73605.89 2541.28 o
8 8 0 27940.58 30074.00 2209.63 o
10 8 0 24538.29 26182.84 1657.89 o
12 8 0 8107.90 8254.79 530.39 o
14 8 0 33379.52 34158.21 5667.37 o
1 9 0 3044.89 3642.19 156.57 o
3 9 0 4083.11 4674.76 311.59 o
5 9 0 8241.66 7241.46 988.56 o
7 9 0 2556.67 2439.53 257.84 o
9 9 0 10371.48 10366.40 563.93 o
11 9 0 1826.61 2118.58 344.24 o
13 9 0 169.34 233.94 214.59 o
15 9 0 774.44 924.02 450.36 o
0 10 0 285066.44 297488.72 9607.37 o
2 10 0 26014.57 27702.33 1471.96 o
4 10 0 3201.19 3332.19 723.27 o
6 10 0 76114.56 74259.33 11866.27 o
8 10 0 49240.77 50068.80 4768.15 o
10 10 0 14334.48 14999.84 1826.35 o
12 10 0 5812.79 5347.16 639.48 o
14 10 0 35646.35 38638.38 6713.18 o
1 11 0 467.07 645.71 79.85 o
3 11 0 897.08 982.26 150.89 o
5 11 0 12317.37 11813.01 2152.96 o
7 11 0 8621.44 8567.55 1418.31 o
9 11 0 177.71 339.59 213.34 o
11 11 0 623.16 633.75 403.47 o
13 11 0 1778.61 1835.57 470.44 o
0 12 0 240575.34 254809.19 8254.52 o
2 12 0 71625.18 70858.40 2389.83 o
4 12 0 3009.13 3169.77 548.37 o
6 12 0 93993.01 91458.24 21484.59 o
8 12 0 54782.70 57034.16 10130.31 o
10 12 0 25935.05 27755.37 4271.72 o
12 12 0 3243.17 3645.57 424.64 o
1 13 0 287.87 366.66 102.29 o
3 13 0 55.92 61.46 118.46 o
5 13 0 2101.86 1980.47 236.76 o
7 13 0 433.70 731.47 211.46 o
9 13 0 4297.57 4521.83 1063.26 o
11 13 0 641.91 1079.68 405.13 o
0 14 0 89512.23 83184.25 4003.06 o
2 14 0 12334.78 12054.85 470.70 o
4 14 0 4727.34 4990.61 456.64 o
6 14 0 33223.75 30242.49 5479.42 o
8 14 0 26568.40 25299.29 6025.50 o
10 14 0 12299.04 13868.90 2597.72 o
12 14 0 2418.00 3063.24 453.98 o
1 15 0 3277.57 3155.74 335.31 o
3 15 0 512.52 378.89 134.51 o
5 15 0 5982.54 5445.79 941.61 o
7 15 0 6821.24 5412.12 944.81 o
9 15 0 3565.72 3755.92 901.70 o
11 15 0 422.40 495.96 302.95 o
0 16 0 77129.27 73612.04 3615.31 o
2 16 0 16798.93 15041.61 1114.26 o
4 16 0 4907.25 4957.59 530.55 o
6 16 0 37964.90 35848.38 7291.98 o
8 16 0 27205.12 24868.55 6677.17 o
10 16 0 7501.58 8014.72 1808.23 o
1 17 0 406.36 506.42 199.94 o
3 17 0 368.47 703.88 221.44 o
5 17 0 4942.46 4577.39 528.76 o
7 17 0 2451.13 2590.35 438.21 o
9 17 0 769.07 741.01 288.25 o
0 18 0 75958.13 67272.26 3372.82 o
2 18 0 24982.21 21126.38 1216.83 o
4 18 0 1921.10 2030.77 294.53 o
6 18 0 33653.08 37939.09 2101.85 o
8 18 0 25875.80 17294.48 1183.86 o
1 19 0 2072.65 1641.31 286.68 o
3 19 0 549.54 259.60 249.02 o
5 19 0 709.30 845.00 282.35 o
0 20 0 26772.39 24425.69 1472.37 o
2 20 0 4038.12 3750.03 732.28 o
-17 1 1 1664.08 1075.73 404.05 o
-15 1 1 32304.64 31307.09 860.54 o
-13 1 1 37047.08 35357.28 928.58 o
-11 1 1 33057.26 32738.54 847.12 o
-9 1 1 17490.03 17791.40 485.52 o
-7 1 1 146821.00 153847.25 3550.37 o
-5 1 1 729819.63 803971.94 25344.75 o
-3 1 1 64954.51 67132.26 1825.57 o
-1 1 1 87632.80 93907.00 4280.59 o
1 1 1 389084.84 411330.97 9301.60 o
3 1 1 158156.97 154527.58 7650.86 o
5 1 1 13768.85 14745.36 354.10 o
7 1 1 59318.06 59493.78 1286.64 o
9 1 1 147454.27 153911.86 3582.05 o
11 1 1 47589.84 46591.21 1351.83 o
13 1 1 1285.60 1263.29 397.96 o
15 1 1 42901.67 41124.36 1263.15 o
-16 2 1 129.57 174.62 156.89 o
-14 2 1 98.02 167.24 117.43 o
-12 2 1 2745.98 2786.22 175.21 o
-10 2 1 4960.71 4644.63 200.26 o
-8 2 1 10.07 6.31 49.71 o
-6 2 1 4244.89 4793.29 164.03 o
-4 2 1 2883.98 2997.14 102.62 o
-2 2 1 4.06 1856.18 184.53 o
0 2 1 3991.76 4038.99 131.58 o
2 2 1 293.69 1750.67 109.58 o
4 2 1 2178.60 2109.72 102.39 o
6 2 1 5063.51 4992.81 177.23 o
8 2 1 1894.00 2082.89 122.62 o
10 2 1 56.57 88.91 87.93 o
12 2 1 1234.56 1074.82 131.60 o
14 2 1 1778.26 1800.97 204.33 o
16 2 1 382.92 340.15 156.22 o
-17 3 1 649.15 497.34 181.79 o
-15 3 1 35933.34 33891.22 2258.33 o
-13 3 1 21619.41 21628.23 619.43 o
-11 3 1 41438.85 39162.43 997.09 o
-9 3 1 1689.31 1674.00 115.80 o
-7 3 1 62746.71 64889.22 1542.11 o
-5 3 1 199139.27 204057.75 4682.81 o
-3 3 1 59628.91 61696.43 1665.99 o
-1 3 1 29676.94 29818.70 3901.83 o
1 3 1 181114.81 201357.36 9224.08 o
3 3 1 22742.67 21687.93 705.04 o
5 3 1 593.17 1116.15 169.65 o
7 3 1 18183.39 17554.83 543.42 o
9 3 1 128261.42 131581.55 3093.39 o
11 3 1 36071.33 35698.74 927.78 o
13 3 1 2310.75 2159.28 212.42 o
15 3 1 32976.84 30313.50 1332.07 o
-16 4 1 72.51 -63.42 143.67 o
-14 4 1 1348.64 1423.77 219.81 o
-12 4 1 8853.71 9162.47 409.12 o
-10 4 1 6849.02 7234.07 269.34 o
-8 4 1 945.24 909.39 86.35 o
-6 4 1 101.88 293.36 51.67 o
-4 4 1 4377.71 3909.84 155.96 o
-2 4 1 179.87 635.27 88.56 o
0 4 1 15652.90 17469.46 484.46 o
2 4 1 306.84 839.59 53.33 o
4 4 1 259.57 409.70 54.75 o
6 4 1 19278.20 18874.33 498.88 o
8 4 1 5417.35 4951.45 197.18 o
10 4 1 2721.31 2890.56 200.60 o
12 4 1 1055.61 921.04 154.87 o
14 4 1 2260.85 2492.98 237.08 o
16 4 1 1719.38 1814.94 372.98 o
-15 5 1 27825.95 27875.05 931.26 o
-13 5 1 40283.93 39667.90 1873.60 o
-11 5 1 37359.01 38119.37 1120.63 o
-9 5 1 10308.02 10915.25 340.72 o
-7 5 1 122091.90 125059.79 3370.00 o
-5 5 1 467544.28 509294.72 34657.90 o
-3 5 1 47843.97 44907.22 9387.40 o
-1 5 1 102209.96 104832.02 2788.67 o
1 5 1 408157.53 445137.38 16267.24 o
3 5 1 151338.91 150952.27 7983.05 o
5 5 1 15916.84 16185.41 501.24 o
7 5 1 40646.04 41447.43 1025.88 o
9 5 1 135617.59 143773.66 3915.60 o
11 5 1 37531.95 39042.71 1188.35 o
13 5 1 2036.18 1743.36 210.16 o
15 5 1 39078.19 38514.75 2092.28 o
-16 6 1 204.31 167.26 160.29 o
-14 6 1 214.80 274.47 155.33 o
-12 6 1 898.01 821.27 161.14 o
-10 6 1 1207.41 1130.80 142.00 o
-8 6 1 596.37 689.47 106.28 o
-6 6 1 139.74 181.90 82.78 o
-4 6 1 6004.74 6428.97 359.27 o
-2 6 1 387.28 1186.21 176.50 o
0 6 1 14033.44 15325.37 439.23 o
2 6 1 2415.59 2977.93 129.42 o
4 6 1 650.10 628.62 61.79 o
6 6 1 41.84 48.22 82.84 o
8 6 1 241.94 252.78 103.02 o
10 6 1 1822.20 1751.32 186.19 o
12 6 1 303.52 224.60 133.34 o
14 6 1 12.35 222.21 203.28 o
-15 7 1 27911.65 29497.07 2225.69 o
-13 7 1 27866.71 29811.40 3461.06 o
-11 7 1 24226.14 27297.01 1583.37 o
-9 7 1 8014.31 8961.90 820.85 o
-7 7 1 96185.09 98595.54 3169.56 o
-5 7 1 371663.84 407137.00 31372.95 o
-3 7 1 31668.63 33296.86 3943.10 o
-1 7 1 55058.40 58575.02 1576.33 o
1 7 1 228162.11 250868.78 7643.79 o
3 7 1 114586.41 118273.84 6992.91 o
5 7 1 10142.72 9727.49 638.61 o
7 7 1 35945.58 37477.32 1386.56 o
9 7 1 99614.41 106159.50 4751.00 o
11 7 1 39119.07 41068.03 3791.12 o
13 7 1 841.23 979.04 352.23 o
15 7 1 30567.40 29779.02 4453.29 o
-16 8 1 204.13 246.15 370.89 o
-14 8 1 232.29 15.25 210.61 o
-12 8 1 93.07 -44.90 190.93 o
-10 8 1 896.13 1049.32 253.27 o
-8 8 1 195.55 205.92 158.24 o
-6 8 1 3242.26 3575.46 248.35 o
-4 8 1 858.03 1024.93 98.21 o
-2 8 1 1422.68 1752.33 107.95 o
0 8 1 7377.31 7346.73 260.66 o
2 8 1 2942.35 3344.20 149.67 o
4 8 1 11482.60 10864.52 946.36 o
6 8 1 865.77 733.94 164.63 o
8 8 1 335.57 355.04 192.14 o
10 8 1 629.03 646.95 222.69 o
12 8 1 369.47 355.80 194.99 o
14 8 1 657.69 345.26 222.22 o
-15 9 1 23186.29 25848.83 2853.61 o
-13 9 1 21515.65 22560.74 2644.93 o
-11 9 1 23904.62 26746.27 3153.93 o
-9 9 1 365.85 559.29 201.83 o
-7 9 1 39637.54 42526.03 3706.52 o
-5 9 1 131551.16 139905.88 13538.41 o
-3 9 1 28608.76 30642.85 2472.98 o
-1 9 1 23411.38 25382.35 626.36 o
1 9 1 84870.49 93269.49 2492.86 o
3 9 1 24170.90 26277.59 2627.84 o
5 9 1 585.86 772.97 156.98 o
7 9 1 20916.00 20570.41 2100.80 o
9 9 1 83489.45 93950.14 6522.18 o
11 9 1 27369.06 28443.67 2647.51 o
13 9 1 1053.14 1316.21 494.31 o
-14 10 1 2512.50 2720.37 384.38 o
-12 10 1 8762.99 10375.58 644.50 o
-10 10 1 6342.15 6800.65 479.82 o
-8 10 1 930.29 1162.59 227.66 o
-6 10 1 3307.10 2880.38 560.64 o
-4 10 1 2702.99 2269.63 257.66 o
-2 10 1 18.21 175.47 67.16 o
0 10 1 12959.45 12620.54 343.71 o
2 10 1 240.91 315.55 110.83 o
4 10 1 1866.68 1498.59 309.19 o
6 10 1 20682.45 19701.43 2278.55 o
8 10 1 5062.67 6068.86 428.57 o
10 10 1 5633.95 5951.74 452.80 o
12 10 1 536.14 498.04 240.02 o
14 10 1 2463.91 3435.38 608.11 o
-13 11 1 30517.55 33305.57 4100.36 o
-11 11 1 25731.78 27876.48 2292.66 o
-9 11 1 3471.73 3557.37 346.75 o
-7 11 1 66932.05 65613.30 10937.68 o
-5 11 1 203968.84 213174.03 36419.74 o
-3 11 1 22026.62 23816.60 1536.33 o
-1 11 1 47789.27 47740.79 1144.97 o
1 11 1 204535.22 213748.86 6955.98 o
3 11 1 83594.97 86307.67 9550.46 o
5 11 1 6143.87 6334.08 382.41 o
7 11 1 23013.52 24400.04 4222.40 o
9 11 1 84162.34 91378.91 8717.04 o
11 11 1 24984.13 26542.07 4818.04 o
13 11 1 1625.41 1808.20 327.82 o
-14 12 1 272.80 277.76 400.29 o
-12 12 1 1407.78 1746.25 416.48 o
-10 12 1 462.86 521.13 237.89 o
-8 12 1 432.52 611.18 217.05 o
-6 12 1 882.94 841.37 343.43 o
-4 12 1 1161.22 1076.58 163.89 o
-2 12 1 610.63 657.85 90.55 o
0 12 1 6649.76 6823.15 271.62 o
2 12 1 1150.77 978.35 159.00 o
4 12 1 228.15 398.26 150.72 o
6 12 1 77.35 30.80 157.60 o
8 12 1 214.63 257.85 275.54 o
10 12 1 3084.78 3398.76 390.54 o
12 12 1 212.98 179.77 265.00 o
-13 13 1 18245.79 20346.14 2802.57 o
-11 13 1 13557.63 14697.05 1142.82 o
-9 13 1 1399.47 1429.41 420.96 o
-7 13 1 41752.17 37516.49 8390.56 o
-5 13 1 116553.75 120569.89 23834.49 o
-3 13 1 12671.04 12662.62 1602.04 o
-1 13 1 33739.45 33397.89 1272.65 o
1 13 1 106208.52 101325.36 2758.37 o
3 13 1 56448.59 56183.23 7600.71 o
5 13 1 7497.07 7559.96 1249.50 o
7 13 1 14354.68 14941.18 2447.66 o
9 13 1 46521.21 51241.25 8474.55 o
11 13 1 22616.07 25543.84 3771.39 o
-12 14 1 873.28 722.50 333.35 o
-10 14 1 17.93 195.47 245.56 o
-8 14 1 107.70 204.24 203.64 o
-6 14 1 3940.52 3607.27 764.72 o
-4 14 1 120.70 125.32 146.59 o
-2 14 1 120.36 45.15 139.96 o
0 14 1 11415.89 9997.17 407.47 o
2 14 1 3716.42 3774.70 382.24 o
4 14 1 7861.52 6940.70 1531.77 o
6 14 1 36.32 9.76 181.26 o
8 14 1 136.33 344.86 233.02 o
10 14 1 1923.51 2023.42 400.83 o
-11 15 1 11229.15 12896.21 2776.91 o
-9 15 1 171.55 535.02 242.28 o
-7 15 1 16721.16 16369.83 3453.24 o
-5 15 1 53371.42 48746.55 8959.89 o
-3 15 1 7483.29 6454.90 379.57 o
-1 15 1 13476.80 12622.52 567.15 o
1 15 1 40547.72 37581.42 1375.49 o
3 15 1 16810.39 16485.26 3014.14 o
5 15 1 346.33 395.26 191.97 o
7 15 1 10973.04 9954.74 1830.33 o
9 15 1 40577.33 40993.60 11100.30 o
-10 16 1 3125.99 3600.48 660.11 o
-8 16 1 521.24 216.77 227.37 o
-6 16 1 3943.43 3596.79 664.92 o
-4 16 1 2161.55 2326.75 567.32 o
-2 16 1 82.83 111.53 163.44 o
0 16 1 7210.52 6531.12 527.56 o
2 16 1 1399.96 862.27 206.14 o
4 16 1 1319.57 1163.25 221.73 o
6 16 1 9728.37 8285.94 1452.69 o
8 16 1 3635.28 3207.91 1121.28 o
10 16 1 4016.64 3025.71 631.05 o
-9 17 1 846.87 1198.44 305.37 o
-7 17 1 30000.40 33758.45 1906.56 o
-5 17 1 72103.08 71325.45 6945.98 o
-3 17 1 10256.69 9699.48 1282.24 o
-1 17 1 21838.71 19081.03 816.40 o
1 17 1 74756.09 66695.13 2351.83 o
3 17 1 35151.72 32466.32 3174.94 o
5 17 1 2242.14 2296.87 429.55 o
7 17 1 12048.61 11376.15 2866.15 o
9 17 1 36788.36 27003.95 1716.54 o
-8 18 1 29.90 -194.01 297.11 o
-6 18 1 1584.20 1682.64 301.37 o
-4 18 1 100.91 319.37 232.23 o
-2 18 1 265.72 273.43 206.27 o
0 18 1 2712.00 2192.95 290.28 o
2 18 1 588.10 895.50 249.32 o
4 18 1 252.62 422.13 345.13 o
6 18 1 202.47 443.21 249.43 o
8 18 1 661.57 385.43 381.00 o
-5 19 1 33911.67 34240.80 6077.67 o
-3 19 1 4864.86 4960.72 843.84 o
-1 19 1 12245.75 10167.55 826.42 o
1 19 1 37719.30 34650.49 1360.30 o
3 19 1 19604.32 18738.64 2810.87 o
5 19 1 2938.81 3380.98 387.43 o
-2 20 1 28.32 179.76 231.15 o
0 20 1 5919.88 4954.33 433.49 o
-18 0 2 18150.79 19423.58 1239.25 o
-16 0 2 4135.85 3480.20 324.99 o
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