#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/17/2201752.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_2201752_Fobs
loop_
_publ_author_name
'Barrier, N.'
'Gougeon, P.'
_publ_section_title
;
 The cluster compound PrMo~7.6~O~14~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i28
_journal_page_last               i30
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.1611
_cell_length_b                   9.9709
_cell_length_c                   11.1916
_exptl_crystal_F_000             1964.16
_reflns_d_resolution_high        0.5785
_[local]_cod_data_source_file    br6072Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
'    *** PrMo7.7O14 fse4-10-99 rccd18-7-00 ***'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            919.35
_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+1/2, z'
'-x+1/2, y+1/2, z'
'-x, -y, z'
'x, y+1/2, z+1/2'
'x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, z+1/2'
'-x, -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
1 1 -19 2053.99 1772.47 474.01 o
2 1 -19 1566.01 1467.01 477.42 o
0 0 -18 16752.94 17096.16 2862.57 o
2 0 -18 2530.88 1974.74 484.34 o
4 0 -18 25187.75 26890.39 2498.47 o
0 2 -18 4600.85 4309.37 618.11 o
1 2 -18 588.22 480.88 330.43 o
2 2 -18 1866.19 901.13 391.91 o
3 2 -18 983.63 988.82 375.41 o
4 2 -18 435.47 551.68 383.66 o
5 2 -18 439.21 435.97 476.46 o
0 4 -18 12463.65 12205.05 1018.51 o
1 4 -18 5519.05 5723.92 643.56 o
2 4 -18 1948.60 1861.30 436.96 o
3 4 -18 6827.72 6394.61 600.04 o
4 4 -18 3027.16 1981.20 759.84 o
1 6 -18 412.37 1792.85 1157.95 o
1 1 -17 27544.29 30128.17 1371.41 o
2 1 -17 1798.21 1679.77 290.96 o
3 1 -17 13544.41 13803.66 804.57 o
4 1 -17 19.40 149.78 287.04 o
5 1 -17 19607.75 20880.35 1468.17 o
6 1 -17 1673.67 1473.11 352.11 o
7 1 -17 17945.91 16038.06 1073.54 o
1 3 -17 5979.26 5866.60 422.05 o
2 3 -17 17692.32 16119.70 962.17 o
3 3 -17 8771.19 7835.63 504.91 o
4 3 -17 8.41 509.33 295.10 o
5 3 -17 11929.45 10899.33 755.34 o
6 3 -17 14153.23 12385.17 866.81 o
7 3 -17 2521.02 1915.35 1046.42 o
1 5 -17 1771.82 1505.86 333.02 o
2 5 -17 42234.50 46691.21 2624.79 o
3 5 -17 4600.00 4804.62 500.19 o
4 5 -17 269.73 77.55 394.49 o
5 5 -17 4405.08 3657.07 511.95 o
6 5 -17 27214.41 23644.67 3364.55 o
1 7 -17 546.21 490.33 475.44 o
2 7 -17 15416.52 13106.60 912.29 o
3 7 -17 4182.64 3682.71 564.24 o
0 0 -16 90920.15 106114.91 7595.96 o
2 0 -16 2006.80 1836.94 404.02 o
4 0 -16 53320.86 55178.89 3999.17 o
6 0 -16 4081.59 3197.65 461.85 o
8 0 -16 52902.17 46403.49 4113.57 o
0 2 -16 171.18 289.27 288.33 o
1 2 -16 4424.73 4889.45 432.43 o
2 2 -16 2600.77 2238.09 250.00 o
3 2 -16 4230.17 4093.42 325.26 o
4 2 -16 12167.77 13198.53 656.34 o
5 2 -16 3466.62 2655.72 306.61 o
6 2 -16 2138.78 1570.13 287.54 o
7 2 -16 3225.09 3382.61 800.36 o
8 2 -16 257.14 -196.26 345.45 o
0 4 -16 20339.76 20227.27 1593.63 o
1 4 -16 16513.79 15332.94 936.40 o
2 4 -16 1582.39 1759.03 272.35 o
3 4 -16 33890.17 35375.26 1872.43 o
4 4 -16 10799.07 10790.10 674.45 o
5 4 -16 23566.88 22268.28 1125.11 o
6 4 -16 1793.52 1104.39 340.56 o
7 4 -16 15823.54 14292.20 1059.93 o
8 4 -16 11910.38 9622.28 1904.41 o
0 6 -16 20547.35 21434.57 1682.76 o
1 6 -16 585.61 344.80 267.51 o
2 6 -16 2204.68 2108.90 422.07 o
3 6 -16 968.49 1042.67 386.33 o
4 6 -16 2464.44 2573.42 368.76 o
5 6 -16 575.02 435.08 365.10 o
6 6 -16 1375.76 1153.94 447.57 o
0 8 -16 19180.14 16283.44 2471.83 o
1 8 -16 9357.61 7797.45 992.32 o
2 8 -16 1190.44 985.28 371.69 o
3 8 -16 22542.58 18764.50 1502.75 o
4 8 -16 9334.39 8102.86 1322.62 o
1 1 -15 15135.41 16752.19 798.60 o
2 1 -15 686.57 353.20 159.98 o
3 1 -15 1728.95 1382.76 432.91 o
4 1 -15 41.68 253.43 155.39 o
5 1 -15 1952.37 1577.37 262.84 o
6 1 -15 582.69 546.98 217.23 o
7 1 -15 7123.45 6238.30 466.16 o
8 1 -15 380.14 873.77 309.34 o
9 1 -15 9816.94 7963.86 725.71 o
1 3 -15 4307.24 3703.23 393.43 o
2 3 -15 6338.44 6250.16 363.89 o
3 3 -15 2478.72 2474.23 232.88 o
4 3 -15 64.29 484.25 169.58 o
5 3 -15 4113.20 3389.88 422.07 o
6 3 -15 5886.16 5515.71 508.30 o
7 3 -15 3754.60 3090.98 319.12 o
8 3 -15 105.98 -41.04 265.11 o
9 3 -15 1587.39 667.53 380.97 o
1 5 -15 1396.08 1736.99 248.51 o
2 5 -15 5241.69 4579.93 353.89 o
3 5 -15 8636.75 7920.43 493.17 o
4 5 -15 224.78 189.56 252.70 o
5 5 -15 7266.13 7062.96 554.13 o
6 5 -15 3398.96 2747.34 439.63 o
7 5 -15 1367.31 1354.48 325.75 o
8 5 -15 543.02 259.48 430.96 o
1 7 -15 241.00 245.89 260.91 o
2 7 -15 2641.43 1924.30 338.52 o
3 7 -15 7351.33 6842.07 528.14 o
4 7 -15 146.18 -97.77 237.52 o
5 7 -15 5438.51 5374.40 555.99 o
6 7 -15 1762.75 1449.92 386.60 o
7 7 -15 518.47 728.94 427.18 o
1 9 -15 507.38 -119.37 488.70 o
2 9 -15 5693.93 3650.90 452.83 o
3 9 -15 4156.71 3077.95 444.29 o
4 9 -15 34.80 221.74 414.02 o
5 9 -15 5379.84 4199.01 745.03 o
0 0 -14 5093.57 4191.57 473.48 o
2 0 -14 4087.90 3898.06 846.05 o
4 0 -14 15049.24 17108.30 898.58 o
6 0 -14 8167.96 7410.86 511.87 o
8 0 -14 2898.88 2276.62 368.70 o
10 0 -14 188.96 -506.95 725.28 o
0 2 -14 21396.57 24308.39 1300.11 o
1 2 -14 9231.33 8979.35 533.90 o
2 2 -14 5292.35 5494.94 392.22 o
3 2 -14 11975.59 12042.32 479.30 o
4 2 -14 67.46 305.66 127.53 o
5 2 -14 6940.33 6281.02 501.48 o
6 2 -14 2805.69 2760.63 238.25 o
7 2 -14 10539.97 9154.75 535.96 o
8 2 -14 11346.11 11696.51 681.78 o
9 2 -14 3909.42 3375.61 776.40 o
10 2 -14 3733.99 3483.18 490.60 o
0 4 -14 12213.43 14699.32 913.76 o
1 4 -14 1234.68 1442.08 220.76 o
2 4 -14 5888.47 5698.18 432.81 o
3 4 -14 2236.98 2260.42 228.75 o
4 4 -14 1166.70 1346.74 190.25 o
5 4 -14 1429.13 1060.50 189.17 o
6 4 -14 2073.44 1743.79 239.40 o
7 4 -14 1717.48 2403.47 393.88 o
8 4 -14 6329.05 6905.84 446.16 o
9 4 -14 460.78 460.04 320.98 o
10 4 -14 4282.83 2802.33 574.16 o
0 6 -14 6989.56 6101.20 1329.64 o
1 6 -14 618.37 677.77 195.85 o
2 6 -14 3261.81 3844.39 486.57 o
3 6 -14 739.85 694.89 198.86 o
4 6 -14 36559.75 40543.15 2236.23 o
5 6 -14 279.92 368.72 238.09 o
6 6 -14 5438.50 4734.69 390.01 o
7 6 -14 564.39 233.21 268.93 o
8 6 -14 3896.86 2741.83 439.40 o
9 6 -14 241.84 -35.34 407.54 o
0 8 -14 4477.48 4468.26 485.78 o
1 8 -14 845.68 719.45 256.03 o
2 8 -14 4284.33 4081.96 353.96 o
3 8 -14 1421.40 1265.98 296.25 o
4 8 -14 5392.02 4604.37 537.94 o
5 8 -14 363.22 254.88 255.61 o
6 8 -14 2323.60 1924.85 434.97 o
7 8 -14 1548.78 1063.56 434.21 o
8 8 -14 2827.33 1536.89 973.28 o
0 10 -14 19846.65 19530.38 1787.37 o
1 10 -14 3255.87 3126.87 431.69 o
2 10 -14 2577.23 2144.00 400.78 o
3 10 -14 3544.46 3402.45 690.28 o
4 10 -14 2176.88 2212.85 402.33 o
5 10 -14 1852.16 1586.04 427.85 o
1 1 -13 424.49 385.14 119.85 o
2 1 -13 70438.08 77893.30 2680.78 o
3 1 -13 15336.27 15908.11 578.20 o
4 1 -13 527.81 489.46 112.26 o
5 1 -13 12631.09 12536.07 501.84 o
6 1 -13 43194.66 49966.77 1803.31 o
7 1 -13 58.21 27.39 158.00 o
8 1 -13 1639.73 1719.46 235.33 o
9 1 -13 177.76 291.50 308.76 o
10 1 -13 37028.06 41032.11 2334.18 o
11 1 -13 6860.65 7138.31 765.00 o
1 3 -13 6652.11 6143.35 299.29 o
2 3 -13 45983.99 50297.87 1822.63 o
3 3 -13 35560.39 37806.98 1280.02 o
4 3 -13 1.52 102.42 99.02 o
5 3 -13 45972.15 53906.78 1886.85 o
6 3 -13 34302.69 37216.34 1533.09 o
7 3 -13 2770.47 2213.38 230.38 o
8 3 -13 1448.52 1278.80 258.63 o
9 3 -13 5565.86 4915.68 414.40 o
10 3 -13 22553.62 21580.94 1239.44 o
11 3 -13 7988.75 6074.95 954.48 o
1 5 -13 45967.04 48634.79 1846.06 o
2 5 -13 2649.42 2421.38 181.46 o
3 5 -13 4536.48 3582.00 239.92 o
4 5 -13 59.77 351.30 155.19 o
5 5 -13 7962.82 7197.41 382.27 o
6 5 -13 1969.78 1774.14 220.52 o
7 5 -13 28984.96 29365.85 1205.15 o
8 5 -13 1324.91 1023.54 254.09 o
9 5 -13 24871.03 25339.55 1477.06 o
10 5 -13 953.47 334.09 328.88 o
1 7 -13 61610.70 67224.18 2930.71 o
2 7 -13 4398.60 3915.44 393.50 o
3 7 -13 14105.68 14484.99 743.87 o
4 7 -13 27.21 415.27 214.31 o
5 7 -13 24246.61 23527.24 1194.61 o
6 7 -13 3715.80 3408.05 289.32 o
7 7 -13 37110.80 37851.36 2469.15 o
8 7 -13 569.09 283.94 308.34 o
9 7 -13 36418.29 34654.13 1611.66 o
1 9 -13 587.46 92.76 233.04 o
2 9 -13 9902.09 8870.14 867.56 o
3 9 -13 12573.99 12088.21 918.92 o
4 9 -13 53.55 179.54 212.59 o
5 9 -13 16445.48 16230.25 989.42 o
6 9 -13 8582.77 7317.13 561.65 o
7 9 -13 462.06 460.47 385.47 o
8 9 -13 92.54 -367.20 691.21 o
1 11 -13 45.35 -196.46 391.05 o
2 11 -13 51909.98 56815.13 3198.37 o
3 11 -13 5681.12 5293.59 594.03 o
4 11 -13 292.20 -194.41 380.36 o
5 11 -13 6816.26 3443.72 873.12 o
0 0 -12 40313.78 44196.30 2317.04 o
2 0 -12 8926.20 9290.98 543.42 o
4 0 -12 13265.47 14172.93 656.96 o
6 0 -12 8476.31 9306.57 594.40 o
8 0 -12 23311.03 27419.18 1592.80 o
10 0 -12 1826.81 1122.43 1073.67 o
12 0 -12 3752.03 3791.00 952.38 o
0 2 -12 81684.93 88162.36 3691.24 o
1 2 -12 40099.89 40520.40 1385.36 o
2 2 -12 1115.27 1056.41 102.72 o
3 2 -12 87560.24 93690.57 2678.01 o
4 2 -12 16044.14 16984.64 704.78 o
5 2 -12 57567.00 62815.66 1876.58 o
6 2 -12 86.57 189.72 120.54 o
7 2 -12 39880.82 43091.10 1681.72 o
8 2 -12 45175.22 50398.50 2121.70 o
9 2 -12 15418.37 13956.93 815.35 o
10 2 -12 1986.58 1800.27 356.76 o
11 2 -12 39793.60 43546.37 2700.68 o
12 2 -12 6583.66 5016.22 966.65 o
0 4 -12 14245.68 14218.63 739.94 o
1 4 -12 7068.87 6440.54 286.58 o
2 4 -12 8379.18 7786.22 341.43 o
3 4 -12 6806.25 7098.62 267.67 o
4 4 -12 8240.25 7691.75 316.65 o
5 4 -12 5916.91 5692.81 293.05 o
6 4 -12 3916.96 3758.54 226.55 o
7 4 -12 5133.96 5108.89 327.35 o
8 4 -12 6361.82 6682.52 416.71 o
9 4 -12 3678.53 3603.28 426.67 o
10 4 -12 4204.86 4366.01 458.62 o
11 4 -12 3457.41 3511.66 478.44 o
0 6 -12 126376.88 136121.38 6184.14 o
1 6 -12 582.33 771.08 141.64 o
2 6 -12 5314.06 4323.28 236.52 o
3 6 -12 463.89 469.20 120.43 o
4 6 -12 114090.80 127662.24 4904.28 o
5 6 -12 301.68 480.08 170.71 o
6 6 -12 10600.44 11168.58 499.60 o
7 6 -12 398.30 451.13 200.58 o
8 6 -12 71321.10 78450.00 3385.32 o
9 6 -12 275.08 590.70 289.16 o
10 6 -12 46.00 119.72 274.60 o
11 6 -12 309.04 213.85 650.14 o
0 8 -12 2161.56 1949.01 308.25 o
1 8 -12 2555.85 2293.73 293.15 o
2 8 -12 5535.81 5152.17 303.84 o
3 8 -12 2803.38 2861.55 271.44 o
4 8 -12 22975.12 25505.56 1150.68 o
5 8 -12 1819.74 1918.11 270.91 o
6 8 -12 4478.01 4227.49 342.89 o
7 8 -12 2110.76 1819.83 266.21 o
8 8 -12 1613.70 1628.56 319.70 o
9 8 -12 1093.05 934.77 330.12 o
0 10 -12 33487.22 35730.10 2851.60 o
1 10 -12 21035.63 18995.65 1105.34 o
2 10 -12 424.54 148.78 266.97 o
3 10 -12 39158.87 38202.45 1937.43 o
4 10 -12 5631.95 4730.22 374.61 o
5 10 -12 27332.45 26681.94 1378.31 o
6 10 -12 47.96 67.56 289.33 o
7 10 -12 18864.63 15756.88 1413.61 o
8 10 -12 19017.17 14937.02 1415.96 o
0 12 -12 10140.82 10128.71 1052.54 o
1 12 -12 2750.39 2937.92 438.62 o
2 12 -12 2173.84 2499.49 431.77 o
3 12 -12 4475.86 3929.11 622.23 o
4 12 -12 3231.58 4026.44 504.57 o
5 12 -12 2604.81 2063.00 1233.22 o
1 1 -11 3904.78 3631.41 214.48 o
2 1 -11 14585.80 15206.22 391.14 o
3 1 -11 26048.14 27212.63 717.74 o
4 1 -11 364.09 353.76 85.38 o
5 1 -11 19687.63 21209.63 634.30 o
6 1 -11 8033.57 7759.01 317.30 o
7 1 -11 1020.46 1069.86 126.10 o
8 1 -11 836.16 591.68 182.18 o
9 1 -11 2272.50 2290.35 256.77 o
10 1 -11 7190.24 6259.60 543.49 o
11 1 -11 10206.52 10135.86 765.98 o
12 1 -11 1152.71 669.59 629.61 o
1 3 -11 2331.39 2136.22 113.80 o
2 3 -11 20566.93 20444.84 585.57 o
3 3 -11 14226.66 15057.37 521.73 o
4 3 -11 105.20 157.61 80.19 o
5 3 -11 18805.55 19714.72 625.81 o
6 3 -11 15616.77 15604.68 537.88 o
7 3 -11 2646.43 2125.25 212.85 o
8 3 -11 419.84 497.52 183.12 o
9 3 -11 276.81 333.12 181.19 o
10 3 -11 9427.39 8896.72 587.70 o
11 3 -11 2181.51 2507.41 402.48 o
12 3 -11 275.86 383.98 404.50 o
1 5 -11 28620.46 29976.30 742.54 o
2 5 -11 6673.63 6415.82 254.95 o
3 5 -11 36.19 474.32 116.23 o
4 5 -11 89.35 64.79 101.08 o
5 5 -11 140.20 370.23 104.16 o
6 5 -11 4845.17 4540.09 309.43 o
7 5 -11 16153.13 16087.71 640.70 o
8 5 -11 869.58 749.96 216.90 o
9 5 -11 15162.07 15640.72 823.31 o
10 5 -11 3428.94 2340.91 360.08 o
11 5 -11 74.32 506.70 310.34 o
12 5 -11 279.09 131.45 528.55 o
1 7 -11 30431.38 32039.14 1277.90 o
2 7 -11 302.97 248.81 92.67 o
3 7 -11 290.35 340.17 109.15 o
4 7 -11 44.38 489.63 281.94 o
5 7 -11 1837.38 1229.79 157.60 o
6 7 -11 155.85 293.41 159.98 o
7 7 -11 17037.79 17230.17 758.99 o
8 7 -11 307.09 199.16 202.71 o
9 7 -11 16836.18 16264.86 882.03 o
10 7 -11 269.91 -68.01 283.50 o
11 7 -11 12.89 -109.92 423.58 o
1 9 -11 4118.46 3800.20 323.39 o
2 9 -11 6604.51 6812.94 403.96 o
3 9 -11 8028.57 7118.80 412.14 o
4 9 -11 78.90 395.22 227.87 o
5 9 -11 9991.95 9042.64 559.72 o
6 9 -11 6877.90 5663.75 487.44 o
7 9 -11 3848.03 3009.12 351.06 o
8 9 -11 125.24 -70.40 269.84 o
9 9 -11 1653.49 1858.45 419.20 o
1 11 -11 99.83 171.82 241.57 o
2 11 -11 9300.43 7127.00 696.80 o
3 11 -11 8277.59 8047.49 442.23 o
4 11 -11 240.18 278.86 254.67 o
5 11 -11 8197.83 8068.66 513.98 o
6 11 -11 6004.47 4860.13 502.37 o
7 11 -11 21.55 246.21 290.09 o
8 11 -11 629.01 1042.78 951.12 o
1 13 -11 1485.83 1897.68 400.32 o
2 13 -11 4178.24 3648.15 461.38 o
3 13 -11 5914.62 4702.25 504.00 o
4 13 -11 111.12 917.76 651.30 o
0 0 -10 23109.61 22529.54 1468.23 o
2 0 -10 8638.08 9398.42 736.17 o
4 0 -10 46370.67 48145.75 1820.96 o
6 0 -10 15708.51 15116.64 1502.95 o
8 0 -10 11556.56 12822.74 769.21 o
10 0 -10 354.28 872.56 286.96 o
12 0 -10 15956.36 14997.74 1418.62 o
0 2 -10 8731.34 9144.96 374.97 o
1 2 -10 1799.75 2047.31 219.09 o
2 2 -10 15321.56 15468.40 396.96 o
3 2 -10 3277.18 3215.51 123.35 o
4 2 -10 16609.53 17798.18 481.66 o
5 2 -10 1344.39 1372.59 104.30 o
6 2 -10 8167.88 8376.29 311.25 o
7 2 -10 2794.73 2529.47 218.60 o
8 2 -10 3664.33 4309.62 282.17 o
9 2 -10 407.78 281.46 265.02 o
10 2 -10 6174.43 6101.23 475.31 o
11 2 -10 2537.21 2533.50 537.20 o
12 2 -10 4372.18 4413.82 530.35 o
13 2 -10 853.45 -6.03 410.59 o
0 4 -10 28072.76 29911.36 929.13 o
1 4 -10 6722.47 5953.78 262.61 o
2 4 -10 9392.60 9627.51 393.61 o
3 4 -10 8555.87 8592.61 338.97 o
4 4 -10 12638.15 13074.57 377.04 o
5 4 -10 4055.51 3410.54 199.25 o
6 4 -10 3408.20 3680.54 316.86 o
7 4 -10 7234.04 7350.36 270.88 o
8 4 -10 13101.28 13440.28 564.63 o
9 4 -10 3120.10 3136.04 447.12 o
10 4 -10 7121.25 6125.87 401.92 o
11 4 -10 4387.53 3984.01 400.74 o
12 4 -10 4728.41 3791.45 783.44 o
0 6 -10 19415.70 18443.20 631.15 o
1 6 -10 617.02 445.55 75.64 o
2 6 -10 6476.91 6367.71 446.49 o
3 6 -10 1508.01 1387.91 124.23 o
4 6 -10 9123.02 9754.88 371.74 o
5 6 -10 769.31 567.24 90.80 o
6 6 -10 8396.55 8146.99 394.58 o
7 6 -10 745.74 611.88 163.05 o
8 6 -10 10159.10 10087.29 501.89 o
9 6 -10 206.96 133.14 235.21 o
10 6 -10 1533.17 1341.37 301.09 o
11 6 -10 723.09 1205.34 395.31 o
12 6 -10 2075.35 2609.20 707.43 o
0 8 -10 11610.12 13183.87 771.91 o
1 8 -10 7955.87 8122.91 724.42 o
2 8 -10 7233.88 7037.49 282.25 o
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