#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/39/2213902.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_2213902_Fobs
loop_
_publ_author_name
'Pan, Yi-Bing'
'Cao, Rui-Ge'
'Liu, Shu-Xia'
_publ_section_title
;
 Sodium barium hexahydrogenhexamolybdoaluminate(III) decahydrate
;
_journal_coeditor_code           MG2022
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i140
_journal_page_last               i141
_journal_volume                  63
_journal_year                    2007
_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                 96.059
_cell_angle_gamma                90.000
_cell_length_a                   23.5526
_cell_length_b                   11.5493
_cell_length_c                   11.2275
_exptl_crystal_F_000             2520.00
_reflns_d_resolution_high        0.7710
_[local]_cod_data_source_file    mg2022Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 15 in C2/c '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1080.10
_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
4 0 0 15706.93 15278.43 354.71 o
6 0 0 162285.41 166868.47 6026.71 o
8 0 0 12671.80 12303.54 876.84 o
10 0 0 96768.76 96415.06 3209.09 o
12 0 0 103318.50 113896.77 4065.21 o
14 0 0 279821.78 274792.09 14742.72 o
16 0 0 284376.22 312470.53 15669.63 o
18 0 0 11132.12 11545.01 777.85 o
20 0 0 8436.91 9769.97 738.63 o
22 0 0 27611.63 28594.81 1193.05 o
26 0 0 5398.47 5099.90 382.32 o
28 0 0 89066.89 86291.96 3050.75 o
30 0 0 5277.67 7409.04 972.98 o
3 1 0 4847.23 5680.82 74.44 o
5 1 0 7274.02 6422.37 171.14 o
7 1 0 8383.43 10041.10 342.40 o
9 1 0 12532.96 11383.82 397.33 o
11 1 0 3735.56 4889.96 246.10 o
13 1 0 7330.77 8063.58 435.30 o
15 1 0 1956.04 3088.33 415.58 o
17 1 0 199.56 364.82 132.90 o
19 1 0 86.07 277.74 163.17 o
21 1 0 222.85 325.46 123.08 o
23 1 0 2472.43 3268.42 418.92 o
25 1 0 733.65 737.88 236.76 o
27 1 0 608.01 888.10 172.13 o
29 1 0 188.48 5.12 156.65 o
0 2 0 394189.59 360272.38 14148.82 o
2 2 0 20616.62 19315.40 430.75 o
4 2 0 76239.34 77482.37 1259.60 o
6 2 0 2356.75 3221.33 152.72 o
8 2 0 24092.47 26254.05 557.35 o
10 2 0 28629.88 28882.82 589.44 o
12 2 0 9.22 170.93 98.28 o
14 2 0 70513.20 74708.02 1769.83 o
16 2 0 24874.39 27430.99 731.15 o
18 2 0 10729.14 11724.41 474.17 o
20 2 0 3792.33 3901.85 391.30 o
22 2 0 2289.44 3833.16 346.43 o
24 2 0 11788.68 11921.37 569.79 o
26 2 0 51.27 452.18 359.56 o
28 2 0 23007.71 22910.49 977.97 o
30 2 0 671.53 1104.50 420.02 o
1 3 0 17535.25 16139.39 388.50 o
3 3 0 23244.28 25180.67 654.64 o
5 3 0 33880.53 33401.17 540.31 o
7 3 0 27788.36 29139.60 453.33 o
9 3 0 17777.17 18550.38 430.99 o
11 3 0 18438.28 18644.64 470.41 o
13 3 0 36647.94 39118.56 834.54 o
15 3 0 9715.00 10605.86 348.68 o
17 3 0 12600.62 13949.63 540.55 o
19 3 0 4819.30 5091.77 316.72 o
21 3 0 202.73 355.01 147.60 o
23 3 0 5805.01 6134.72 318.20 o
25 3 0 1237.05 1308.51 234.36 o
27 3 0 702.65 1040.64 263.15 o
29 3 0 964.70 760.39 186.87 o
0 4 0 93748.98 93232.92 2428.49 o
2 4 0 5206.21 4416.78 211.08 o
4 4 0 73459.13 79089.41 4135.78 o
6 4 0 185951.84 182671.84 3881.80 o
8 4 0 91989.42 87339.65 1552.66 o
10 4 0 2343.46 2403.02 113.43 o
12 4 0 54651.81 56680.50 1194.56 o
14 4 0 476.89 693.34 143.01 o
16 4 0 36793.54 40083.71 2585.49 o
18 4 0 3963.77 4518.42 245.04 o
20 4 0 49501.36 54257.04 1694.48 o
22 4 0 64675.00 67030.02 2077.45 o
24 4 0 5226.42 4667.24 302.48 o
26 4 0 6170.80 6643.96 427.51 o
28 4 0 130.04 261.16 189.98 o
1 5 0 305.83 308.81 31.49 o
3 5 0 319.99 464.63 73.25 o
5 5 0 3266.04 3614.52 155.60 o
7 5 0 16.86 333.05 63.35 o
9 5 0 13279.60 12876.05 224.19 o
11 5 0 519.99 642.61 95.36 o
13 5 0 5.34 144.26 101.06 o
15 5 0 1343.82 1754.15 172.91 o
17 5 0 17.82 216.18 118.94 o
19 5 0 1041.14 1577.20 264.68 o
21 5 0 9.16 312.82 117.53 o
23 5 0 442.61 470.53 158.48 o
25 5 0 433.42 244.06 141.32 o
27 5 0 64.69 247.85 248.99 o
0 6 0 50606.41 50120.11 3375.22 o
2 6 0 13505.32 13027.09 392.66 o
4 6 0 44059.81 44110.96 1019.47 o
6 6 0 386503.09 396610.34 14233.37 o
8 6 0 216049.89 230292.86 9363.06 o
10 6 0 8951.46 9629.89 210.09 o
12 6 0 65473.12 68186.08 1282.41 o
14 6 0 1778.49 2090.91 164.12 o
16 6 0 53925.30 55962.62 1275.58 o
18 6 0 34.45 88.22 133.44 o
20 6 0 42602.47 43344.06 1228.54 o
22 6 0 71474.02 73394.92 1866.75 o
24 6 0 190.11 156.93 159.86 o
26 6 0 2796.49 3152.51 753.47 o
1 7 0 12438.59 12219.20 221.37 o
3 7 0 3941.12 3923.66 187.37 o
5 7 0 602.61 708.69 144.79 o
7 7 0 20049.08 20975.84 491.08 o
9 7 0 16084.13 16523.18 502.91 o
11 7 0 5678.38 6191.72 153.19 o
13 7 0 5625.97 5880.56 192.69 o
15 7 0 513.12 604.50 111.91 o
17 7 0 11169.49 11378.99 350.61 o
19 7 0 11813.00 11956.06 601.32 o
21 7 0 279.92 366.15 155.09 o
23 7 0 240.93 296.73 146.38 o
25 7 0 105.78 166.66 117.51 o
0 8 0 95763.24 87098.23 6961.30 o
2 8 0 6535.63 6320.16 294.23 o
4 8 0 21054.39 20254.23 607.56 o
6 8 0 0.46 108.72 84.14 o
8 8 0 37458.10 37545.68 925.50 o
10 8 0 11562.96 11817.50 429.83 o
12 8 0 80.69 453.71 146.29 o
14 8 0 42938.89 44498.49 843.62 o
16 8 0 3097.80 3467.91 154.19 o
18 8 0 4611.74 4761.76 222.77 o
20 8 0 499.50 468.69 194.37 o
22 8 0 60.20 15.04 81.60 o
24 8 0 696.18 591.02 118.48 o
1 9 0 13246.06 10574.73 1884.20 o
3 9 0 496.36 438.41 76.65 o
5 9 0 912.52 1290.64 120.85 o
7 9 0 8946.01 9118.65 407.97 o
9 9 0 6599.14 6990.25 292.74 o
11 9 0 5849.66 5966.88 287.20 o
13 9 0 353.94 555.49 130.26 o
15 9 0 760.80 1067.20 203.15 o
17 9 0 1458.74 1853.75 104.91 o
19 9 0 1878.50 2469.96 335.71 o
21 9 0 1.19 49.69 135.87 o
23 9 0 56.07 185.83 167.36 o
0 10 0 184653.39 192444.25 11285.54 o
2 10 0 219.85 478.72 202.22 o
4 10 0 3988.73 4053.69 293.14 o
6 10 0 54769.36 53578.68 1498.50 o
8 10 0 1160.66 1661.01 274.08 o
10 10 0 38697.45 39709.54 1078.31 o
12 10 0 21908.21 23931.76 1444.71 o
14 10 0 58750.85 56761.13 1728.01 o
16 10 0 16512.35 15988.85 1418.56 o
18 10 0 25727.56 24832.28 891.31 o
20 10 0 4428.33 3815.93 474.76 o
22 10 0 7281.37 7755.14 825.35 o
3 11 0 4252.07 4273.94 163.73 o
5 11 0 3708.79 3902.94 247.14 o
7 11 0 3081.57 3308.04 159.19 o
9 11 0 135.88 198.84 96.12 o
11 11 0 604.46 531.71 166.38 o
13 11 0 4334.83 4825.84 394.47 o
15 11 0 2256.17 2872.79 314.44 o
17 11 0 159.29 -11.58 176.09 o
19 11 0 20.37 23.20 160.49 o
4 12 0 6087.58 5841.25 202.37 o
6 12 0 341.89 409.00 84.20 o
8 12 0 804.36 1376.70 406.99 o
10 12 0 11309.10 11575.24 527.88 o
12 12 0 6131.37 6110.12 462.54 o
14 12 0 14482.69 13983.22 512.76 o
16 12 0 770.79 985.64 248.82 o
18 12 0 12024.66 11555.02 516.81 o
3 13 0 4444.71 4996.90 505.92 o
5 13 0 10877.15 11018.47 814.25 o
7 13 0 6963.26 6764.21 290.33 o
9 13 0 46.73 131.09 76.69 o
11 13 0 1665.15 1963.40 288.58 o
13 13 0 7205.31 7554.33 332.49 o
15 13 0 1732.92 1571.45 272.28 o
4 14 0 2869.58 3308.28 362.63 o
6 14 0 38480.54 38732.13 3094.98 o
8 14 0 22460.57 24076.14 3071.33 o
10 14 0 701.38 2647.95 1190.07 o
-29 1 1 12631.14 13210.34 866.86 o
-27 1 1 10482.44 9715.60 581.37 o
-25 1 1 19099.98 17380.31 877.44 o
-23 1 1 138.66 185.08 131.44 o
-21 1 1 6806.50 8670.87 458.72 o
-19 1 1 2660.13 2643.19 367.59 o
-17 1 1 1856.76 1778.90 281.90 o
-15 1 1 122002.46 124114.23 3513.38 o
-13 1 1 1974.03 2226.62 250.42 o
-11 1 1 6255.78 6761.00 324.97 o
-9 1 1 52458.03 55225.14 1228.09 o
-7 1 1 96783.88 97708.80 2505.07 o
-5 1 1 96689.80 99341.66 2040.42 o
-3 1 1 37.41 281.89 51.64 o
3 1 1 149187.53 158567.05 2858.09 o
5 1 1 11454.77 14919.70 767.52 o
7 1 1 6755.62 9460.82 536.25 o
9 1 1 542.18 2570.89 598.62 o
11 1 1 51042.13 52296.11 1248.29 o
13 1 1 40572.96 40328.71 1087.71 o
15 1 1 18448.40 22212.26 1091.10 o
17 1 1 2737.48 3062.48 236.88 o
19 1 1 1968.95 2080.10 208.27 o
21 1 1 52325.77 52834.56 1356.59 o
23 1 1 2794.99 3207.82 428.95 o
25 1 1 5100.84 5332.13 379.98 o
27 1 1 2044.95 2923.62 256.89 o
29 1 1 2212.49 1759.62 276.90 o
-30 2 1 14411.97 12668.60 503.65 o
-28 2 1 14930.99 18976.71 2198.62 o
-26 2 1 12109.58 10950.47 512.34 o
-24 2 1 5795.95 5836.21 404.56 o
-22 2 1 28603.08 28683.34 867.07 o
-18 2 1 9936.08 9849.27 464.44 o
-16 2 1 18079.06 17232.33 619.01 o
-14 2 1 269361.25 253421.81 13149.81 o
-12 2 1 17.52 154.44 88.52 o
-10 2 1 8625.19 9259.68 293.77 o
-8 2 1 115455.64 115119.71 2432.75 o
-6 2 1 119872.54 120134.78 2454.32 o
-4 2 1 36256.34 41047.50 619.30 o
-2 2 1 423427.28 441535.91 11389.80 o
0 2 1 178494.70 182107.73 6157.84 o
2 2 1 219764.22 236900.61 5359.68 o
4 2 1 123107.17 124304.66 2286.58 o
6 2 1 78521.92 80337.13 2594.54 o
8 2 1 181948.75 182847.45 4534.69 o
10 2 1 11924.54 13868.28 376.74 o
12 2 1 9975.00 9274.78 302.54 o
14 2 1 195905.48 204731.02 5789.70 o
16 2 1 11588.26 11058.10 404.24 o
18 2 1 3044.56 3341.74 236.01 o
20 2 1 78824.83 79288.66 2015.61 o
22 2 1 27822.38 28197.20 930.58 o
24 2 1 582.17 705.67 196.56 o
26 2 1 18569.11 17250.14 588.46 o
28 2 1 19396.59 20392.49 803.42 o
-29 3 1 4894.80 5277.34 480.83 o
-27 3 1 62.95 279.32 201.47 o
-25 3 1 17819.50 18092.50 626.55 o
-23 3 1 250.41 247.66 182.66 o
-21 3 1 39116.64 37561.22 995.62 o
-19 3 1 2402.01 2931.81 279.29 o
-17 3 1 17752.94 18228.67 505.05 o
-15 3 1 18209.85 17204.07 524.95 o
-13 3 1 19374.07 18910.87 458.69 o
-11 3 1 46725.30 45646.78 880.98 o
-9 3 1 2641.66 3698.10 309.87 o
-7 3 1 24906.97 23588.12 1336.39 o
-5 3 1 20461.39 22284.50 304.30 o
-3 3 1 51114.26 48805.38 787.26 o
-1 3 1 70506.05 68880.15 1212.25 o
1 3 1 34331.76 30576.80 1524.13 o
3 3 1 78445.14 73570.60 1238.12 o
5 3 1 24229.20 24359.21 388.00 o
7 3 1 29867.91 27569.71 764.33 o
9 3 1 41697.32 43436.37 813.40 o
11 3 1 8114.02 9097.74 275.21 o
13 3 1 34950.31 34287.04 815.87 o
15 3 1 10410.41 10786.13 469.54 o
17 3 1 20819.38 21486.20 652.95 o
19 3 1 135.28 271.58 137.54 o
21 3 1 15862.55 17343.57 771.45 o
23 3 1 272.20 403.08 147.09 o
25 3 1 14612.34 15919.70 3180.74 o
27 3 1 6112.77 5657.92 338.86 o
29 3 1 4735.54 4556.96 365.56 o
-28 4 1 6324.49 7245.08 611.15 o
-26 4 1 3175.84 3808.90 346.26 o
-24 4 1 241.91 358.89 126.59 o
-22 4 1 6806.16 7394.26 475.09 o
-20 4 1 30236.40 31021.45 910.82 o
-18 4 1 554.61 586.65 182.58 o
-16 4 1 14924.73 14992.50 477.30 o
-14 4 1 30879.94 31625.62 843.06 o
-12 4 1 5728.69 5103.52 191.62 o
-10 4 1 828.48 1187.77 96.26 o
-8 4 1 30078.88 28711.59 498.03 o
-6 4 1 16770.62 16068.50 703.42 o
-4 4 1 17411.99 16588.79 298.59 o
-2 4 1 91181.26 87446.48 1499.93 o
0 4 1 28945.34 25840.18 1060.57 o
2 4 1 69603.45 75583.59 4286.56 o
4 4 1 34572.46 35020.68 704.69 o
6 4 1 4244.17 3805.17 138.88 o
8 4 1 41145.98 38554.90 676.30 o
10 4 1 4152.56 4488.81 243.67 o
12 4 1 14189.32 13288.83 362.28 o
14 4 1 55329.12 54510.34 1270.45 o
16 4 1 1068.78 1496.91 266.26 o
18 4 1 55.78 120.88 105.34 o
20 4 1 10469.11 12318.72 444.53 o
22 4 1 16423.05 17446.94 665.02 o
24 4 1 225.05 177.82 149.38 o
26 4 1 10753.45 10753.25 1087.01 o
28 4 1 6807.73 6926.46 433.32 o
-27 5 1 1825.04 1533.56 228.33 o
-25 5 1 5574.19 5799.26 431.26 o
-23 5 1 1401.43 2008.96 204.66 o
-21 5 1 57076.02 56749.26 1559.25 o
-19 5 1 3199.37 3669.17 272.61 o
-17 5 1 11912.03 13747.32 1335.00 o
-15 5 1 13.69 897.96 433.49 o
-13 5 1 24887.56 25035.34 569.92 o
-11 5 1 84728.29 83368.56 1650.50 o
-9 5 1 34113.91 34583.75 597.48 o
-7 5 1 13970.34 16984.46 551.45 o
-5 5 1 28887.48 29598.74 503.02 o
-3 5 1 88722.73 85027.16 2698.68 o
-1 5 1 75806.09 70374.23 1335.96 o
1 5 1 49922.84 48690.05 679.36 o
3 5 1 16916.42 19351.53 1161.05 o
5 5 1 30907.69 32127.08 784.53 o
7 5 1 142526.91 142248.70 2880.88 o
9 5 1 26089.02 26111.69 430.50 o
11 5 1 4036.62 5807.73 464.40 o
13 5 1 10095.70 10175.81 296.15 o
15 5 1 23014.38 24873.20 684.14 o
17 5 1 42638.18 43307.95 1011.65 o
19 5 1 3334.92 3856.15 347.48 o
21 5 1 5596.51 7505.60 703.89 o
23 5 1 1.55 13.39 88.86 o
25 5 1 11169.89 10976.52 957.68 o
27 5 1 9228.75 8226.56 504.01 o
-26 6 1 1154.47 850.14 285.87 o
-24 6 1 7652.82 6896.99 411.45 o
-22 6 1 6790.64 7531.82 374.45 o
-20 6 1 5865.78 5795.52 338.27 o
-18 6 1 1559.49 1622.61 235.94 o
-16 6 1 3845.69 3815.78 236.91 o
-14 6 1 26875.07 28110.87 741.00 o
-12 6 1 7402.87 7500.69 235.52 o
-10 6 1 12969.81 12784.00 266.29 o
-8 6 1 64382.57 66004.13 1155.85 o
-6 6 1 5618.37 5721.45 199.73 o
-4 6 1 3455.90 4949.15 485.78 o
-2 6 1 19008.30 18599.95 503.89 o
0 6 1 32961.07 30195.63 452.40 o
2 6 1 32020.55 31247.35 570.20 o
4 6 1 23418.36 21762.65 471.90 o
6 6 1 27266.13 24732.96 506.41 o
8 6 1 56167.54 56864.50 1140.54 o
10 6 1 672.13 930.98 70.58 o
12 6 1 1230.05 1284.94 128.48 o
14 6 1 32559.65 32741.79 733.04 o
16 6 1 16776.82 16237.28 451.03 o
18 6 1 1298.63 1493.86 169.60 o
20 6 1 12975.54 12850.49 501.77 o
22 6 1 5892.97 7607.15 741.67 o
24 6 1 457.13 563.78 166.41 o
26 6 1 352.16 258.77 171.83 o
-25 7 1 995.03 697.57 225.58 o
-23 7 1 2238.44 2845.41 672.50 o
-21 7 1 14612.76 14361.71 450.53 o
-19 7 1 2304.32 2402.97 202.84 o
-17 7 1 6232.99 5634.37 255.70 o
-15 7 1 9329.29 9141.42 242.17 o
-13 7 1 12561.82 12760.86 260.31 o
-11 7 1 19875.87 19793.64 360.57 o
-9 7 1 24903.52 24599.03 561.79 o
-7 7 1 34029.41 34870.32 902.98 o
-5 7 1 9069.51 8915.11 237.53 o
-3 7 1 17094.01 16378.52 385.18 o
-1 7 1 11834.23 11360.96 191.84 o
1 7 1 8583.09 8627.50 276.54 o
3 7 1 7593.46 7144.49 240.87 o
5 7 1 352.48 557.57 103.92 o
7 7 1 67287.95 61985.87 1391.48 o
9 7 1 243.99 534.76 133.05 o
11 7 1 14316.40 15671.14 766.25 o
13 7 1 10482.89 10713.85 262.81 o
15 7 1 13916.43 13484.22 416.86 o
17 7 1 8370.17 7538.49 298.17 o
19 7 1 1127.74 1409.18 217.93 o
21 7 1 10048.49 10349.59 476.31 o
23 7 1 19.75 139.30 136.84 o
25 7 1 2476.42 3402.49 560.14 o
-24 8 1 13745.12 13231.97 627.91 o
-22 8 1 21384.60 19831.49 753.24 o
-20 8 1 35052.23 34306.68 921.43 o
-18 8 1 1620.56 1770.41 168.79 o
-16 8 1 2663.78 2794.91 136.12 o
-14 8 1 115049.13 115713.66 2468.01 o
-12 8 1 7126.85 7344.75 254.19 o
-10 8 1 11110.24 10506.33 359.14 o
-8 8 1 257911.05 258200.14 8360.65 o
-6 8 1 13898.48 15164.14 752.38 o
-4 8 1 19642.19 19042.80 770.38 o
-2 8 1 79683.50 72505.23 5426.44 o
0 8 1 43509.20 40605.27 1137.22 o
2 8 1 135758.03 132212.52 3295.23 o
4 8 1 55540.14 51340.13 1282.03 o
6 8 1 71523.48 66883.52 1842.58 o
8 8 1 143517.89 167572.86 15478.97 o
10 8 1 864.31 1278.65 165.89 o
12 8 1 2843.10 3201.95 297.55 o
14 8 1 127096.64 130215.62 2920.93 o
16 8 1 7734.89 6908.37 229.97 o
18 8 1 983.80 721.05 103.27 o
20 8 1 50097.22 50648.80 1627.90 o
22 8 1 13785.42 13011.54 688.44 o
24 8 1 4249.44 3910.32 306.20 o
-23 9 1 226.18 172.17 200.23 o
-21 9 1 1260.38 2043.77 558.73 o
-19 9 1 1807.52 2009.49 141.21 o
-17 9 1 6630.88 6674.92 202.56 o
-15 9 1 22511.23 23006.35 580.99 o
-13 9 1 7163.81 7037.71 418.19 o
-11 9 1 162.04 162.00 100.03 o
-9 9 1 54.10 117.73 82.29 o
-7 9 1 51115.13 48416.02 1258.77 o
-5 9 1 15604.68 15802.67 617.40 o
-3 9 1 347.72 536.31 337.24 o
-1 9 1 5994.43 4888.41 446.55 o
1 9 1 27438.11 26655.26 611.37 o
3 9 1 30351.68 28876.80 557.93 o
5 9 1 11755.74 11745.12 439.98 o
7 9 1 28883.35 25743.94 769.33 o
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