#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2212559.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_2212559_Fobs
loop_
_publ_author_name
'Li, Feng'
_publ_section_title
;
 Poly[[diaqua-\m~6~-succinato-di-\m~5~-succinato-dierbium(III)]
 monohydrate]
;
_journal_coeditor_code           HB2243
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m840
_journal_page_last               m841
_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                 121.495
_cell_angle_gamma                90.000
_cell_length_a                   19.8837
_cell_length_b                   7.6642
_cell_length_c                   13.8194
_exptl_crystal_F_000             1384.00
_reflns_d_resolution_high        0.8208
_[local]_cod_data_source_file    hb2243Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' a in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            565.67
_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 60227.79 55219.67 801.91 o
6 0 0 18666.28 19397.76 294.81 o
8 0 0 5356.19 4482.94 159.13 o
10 0 0 5634.46 5900.43 186.79 o
12 0 0 17173.78 18875.93 287.51 o
14 0 0 5898.56 6364.46 526.20 o
16 0 0 7787.87 8520.65 908.31 o
18 0 0 18352.19 22606.90 2756.58 o
20 0 0 22024.74 22029.60 600.42 o
1 1 0 134.42 328.98 7.46 o
3 1 0 23094.86 21669.76 352.50 o
5 1 0 2335.35 3020.91 84.59 o
7 1 0 8130.90 7445.32 219.05 o
9 1 0 3046.81 3391.15 82.41 o
11 1 0 2139.44 2210.53 36.65 o
13 1 0 5033.77 5331.15 206.77 o
15 1 0 918.76 1104.51 36.40 o
17 1 0 1153.81 1121.50 52.33 o
19 1 0 2296.48 2565.40 384.17 o
0 2 0 115186.45 122478.73 3069.26 o
2 2 0 194697.84 172333.84 3051.29 o
4 2 0 121578.03 113959.38 1728.84 o
6 2 0 137871.45 133190.02 1670.05 o
8 2 0 67763.79 67194.73 847.05 o
10 2 0 13119.18 12691.12 398.78 o
12 2 0 624.86 599.08 30.09 o
14 2 0 3634.99 2802.81 235.07 o
16 2 0 7123.32 7000.52 152.38 o
18 2 0 11865.61 11309.13 590.83 o
20 2 0 14937.02 14566.85 563.98 o
1 3 0 900.23 752.34 31.65 o
3 3 0 2869.26 2966.82 84.37 o
5 3 0 17888.24 17063.03 219.02 o
7 3 0 12434.92 11823.56 233.19 o
9 3 0 31444.59 31352.23 493.12 o
11 3 0 46206.31 45380.98 669.37 o
13 3 0 25111.03 24288.86 368.36 o
15 3 0 22035.27 20227.43 774.99 o
17 3 0 19183.16 18787.89 908.31 o
19 3 0 6934.43 5988.90 484.37 o
0 4 0 179292.00 184067.22 4615.40 o
2 4 0 94878.27 97136.23 1410.27 o
4 4 0 56610.88 57056.46 1041.05 o
6 4 0 29929.98 30023.04 601.39 o
8 4 0 3361.06 3486.31 62.63 o
10 4 0 156.47 168.39 29.03 o
12 4 0 1847.42 2045.36 60.99 o
14 4 0 374.83 280.98 31.85 o
16 4 0 1114.82 971.82 57.64 o
18 4 0 1882.80 1943.01 77.32 o
1 5 0 2937.35 3117.16 85.36 o
3 5 0 19952.41 20985.57 394.16 o
5 5 0 26476.34 27126.17 441.07 o
7 5 0 42548.35 43829.01 644.55 o
9 5 0 50865.61 51455.32 1013.97 o
11 5 0 43823.13 44834.48 1344.72 o
13 5 0 36754.02 36723.05 674.70 o
15 5 0 34095.29 34037.12 631.39 o
17 5 0 27345.58 27390.34 521.44 o
0 6 0 17919.42 18916.22 494.92 o
2 6 0 11674.00 12754.09 306.70 o
4 6 0 6735.54 7103.12 100.40 o
6 6 0 7235.43 7371.06 178.36 o
8 6 0 3580.99 3705.68 121.81 o
10 6 0 1646.65 1728.97 60.86 o
12 6 0 425.67 377.00 42.05 o
14 6 0 140.68 281.69 235.95 o
1 7 0 125.19 224.32 32.72 o
3 7 0 8718.42 8969.66 186.68 o
5 7 0 29298.51 29921.37 853.63 o
7 7 0 26202.81 28129.18 519.17 o
9 7 0 34920.63 36983.61 678.21 o
11 7 0 57226.23 58949.93 1069.47 o
13 7 0 51476.20 51883.63 2336.47 o
0 8 0 1409.53 1505.85 86.32 o
2 8 0 651.74 560.28 44.07 o
4 8 0 302.40 379.82 57.55 o
6 8 0 1981.48 1838.58 108.38 o
8 8 0 2757.15 3090.76 206.22 o
10 8 0 362.50 378.40 50.53 o
1 9 0 470.94 454.22 84.40 o
3 9 0 4007.57 3995.79 151.54 o
5 9 0 15645.13 16737.05 462.31 o
-21 1 1 9685.40 8363.73 257.05 o
-19 1 1 17599.89 18879.47 712.20 o
-17 1 1 38447.27 39072.04 916.36 o
-15 1 1 85876.02 91193.71 2399.17 o
-13 1 1 118570.95 122788.14 1435.10 o
-11 1 1 147873.00 147557.95 1891.13 o
-9 1 1 164812.20 156985.75 4066.25 o
-7 1 1 57313.92 54191.27 1361.22 o
-5 1 1 44169.27 41711.02 428.81 o
-3 1 1 59847.38 59124.09 663.26 o
-1 1 1 16722.39 17290.14 699.68 o
1 1 1 96.27 417.16 28.24 o
3 1 1 284.78 785.92 84.17 o
5 1 1 29201.05 27137.57 939.30 o
7 1 1 115694.16 113750.51 3015.55 o
9 1 1 75554.45 75224.77 1332.36 o
11 1 1 59186.42 59829.32 680.90 o
13 1 1 87853.52 91879.23 3347.76 o
15 1 1 75611.38 78630.82 1658.52 o
17 1 1 46567.62 54505.69 2253.53 o
19 1 1 28174.97 29527.11 2546.53 o
-20 2 1 3318.75 3017.62 123.73 o
-18 2 1 964.54 905.16 98.79 o
-16 2 1 841.81 869.97 49.88 o
-14 2 1 2877.84 2728.80 257.92 o
-12 2 1 605.52 648.95 22.02 o
-10 2 1 2184.47 2181.17 33.09 o
-8 2 1 2552.20 2675.45 59.64 o
-6 2 1 34729.00 33323.84 466.01 o
-4 2 1 40654.20 39060.30 492.24 o
-2 2 1 24962.26 25515.95 781.11 o
0 2 1 3627.20 4206.47 148.23 o
2 2 1 22868.66 21096.03 809.04 o
4 2 1 55795.32 57245.65 719.91 o
6 2 1 26176.40 26460.53 536.51 o
8 2 1 16709.65 17214.67 307.35 o
10 2 1 3671.22 3319.53 239.85 o
12 2 1 12.03 75.14 24.35 o
14 2 1 86.01 150.62 27.87 o
16 2 1 504.28 505.92 63.30 o
18 2 1 777.64 755.81 119.89 o
-19 3 1 8612.78 8023.18 178.34 o
-17 3 1 21633.89 21229.31 711.68 o
-15 3 1 52019.10 48624.01 1925.96 o
-13 3 1 75683.44 73200.52 1313.52 o
-11 3 1 83489.77 82032.00 1196.35 o
-9 3 1 82910.61 79176.59 1087.41 o
-7 3 1 83313.73 80606.40 907.28 o
-5 3 1 21820.15 20814.98 265.38 o
-3 3 1 14882.93 14397.12 262.45 o
-1 3 1 508.46 564.31 19.63 o
1 3 1 45.96 101.65 9.19 o
3 3 1 49.21 241.44 104.83 o
5 3 1 9456.55 9177.88 178.31 o
7 3 1 32734.59 32512.87 452.70 o
9 3 1 59189.31 60169.56 1265.24 o
11 3 1 60082.38 57470.34 846.04 o
13 3 1 49732.80 43524.23 2519.29 o
15 3 1 36919.78 36166.03 2026.67 o
17 3 1 23941.54 21387.87 411.60 o
-18 4 1 7591.76 7446.20 189.91 o
-16 4 1 6039.30 5763.93 131.49 o
-14 4 1 2453.85 2450.40 69.85 o
-12 4 1 45.61 107.65 47.00 o
-10 4 1 2848.14 2810.17 53.75 o
-8 4 1 12318.69 12191.29 210.26 o
-6 4 1 17633.60 17378.64 224.60 o
-4 4 1 80560.94 82391.12 1037.23 o
-2 4 1 94189.80 99076.20 1761.24 o
0 4 1 90305.69 90619.82 1315.96 o
2 4 1 70574.49 70851.27 1129.60 o
4 4 1 49415.75 48075.31 624.09 o
6 4 1 52617.13 53583.94 1212.46 o
8 4 1 24492.63 25704.51 768.97 o
10 4 1 9239.99 9388.25 152.45 o
12 4 1 3600.07 3441.17 199.79 o
14 4 1 252.48 229.91 37.91 o
16 4 1 1129.84 1068.40 67.13 o
-17 5 1 12000.94 11608.91 238.73 o
-15 5 1 24705.21 24724.02 465.23 o
-13 5 1 18611.14 19695.30 390.37 o
-11 5 1 21477.69 22391.05 416.26 o
-9 5 1 32509.55 34028.91 618.96 o
-7 5 1 5651.80 5404.92 118.23 o
-5 5 1 4730.03 4688.52 86.04 o
-3 5 1 10438.30 11250.88 212.95 o
-1 5 1 7047.51 7744.18 149.88 o
1 5 1 2.50 41.79 36.98 o
3 5 1 930.57 973.14 37.39 o
5 5 1 5471.40 5849.88 210.43 o
7 5 1 20286.30 20512.80 404.08 o
9 5 1 10187.81 10482.76 167.86 o
11 5 1 10096.98 10185.15 386.53 o
13 5 1 16971.71 17158.66 332.12 o
15 5 1 13294.33 12539.31 531.37 o
-16 6 1 10102.83 10995.49 230.40 o
-14 6 1 2963.06 2879.63 87.10 o
-12 6 1 1060.27 989.52 50.85 o
-10 6 1 15509.15 16578.54 316.01 o
-8 6 1 14199.64 14503.17 312.68 o
-6 6 1 23917.23 25189.09 509.76 o
-4 6 1 35619.77 36065.09 578.15 o
-2 6 1 66619.74 68009.09 1217.19 o
0 6 1 92404.98 91677.99 1334.72 o
2 6 1 121311.19 121901.07 1818.46 o
4 6 1 102220.62 102773.20 1496.28 o
6 6 1 40710.05 39629.21 711.07 o
8 6 1 23723.62 23811.74 515.46 o
10 6 1 9236.31 9614.04 396.13 o
12 6 1 2068.08 2092.22 71.20 o
14 6 1 392.95 353.86 106.46 o
-13 7 1 1792.12 1787.44 71.85 o
-11 7 1 4172.42 4388.54 110.49 o
-9 7 1 3606.26 3498.13 90.13 o
-7 7 1 1052.13 1090.21 164.97 o
-5 7 1 1396.15 1486.76 52.10 o
-3 7 1 5.46 12.81 23.77 o
-1 7 1 440.56 451.52 35.19 o
1 7 1 15.41 41.73 38.09 o
3 7 1 4.88 37.24 46.38 o
5 7 1 93.86 92.91 25.09 o
7 7 1 174.51 209.11 33.91 o
9 7 1 1050.78 1163.00 56.28 o
11 7 1 502.43 531.69 139.08 o
-10 8 1 1707.33 1601.45 68.25 o
-8 8 1 10066.26 10552.75 774.99 o
-6 8 1 28689.82 30198.74 956.27 o
-4 8 1 55475.34 54790.30 989.65 o
-2 8 1 46390.21 47605.97 863.73 o
0 8 1 58413.57 60836.39 1097.19 o
2 8 1 74465.81 74414.68 3177.64 o
4 8 1 44961.80 47281.43 1791.68 o
6 8 1 30271.56 32917.20 1094.38 o
8 8 1 22632.72 24815.29 1138.50 o
-5 9 1 1531.88 1557.65 99.75 o
-3 9 1 742.60 705.93 82.49 o
-1 9 1 164.73 145.72 40.00 o
1 9 1 12.93 43.00 36.40 o
3 9 1 231.16 211.01 55.63 o
-22 0 2 24723.62 25526.64 686.75 o
-20 0 2 34379.70 30980.32 813.35 o
-18 0 2 38808.53 39877.34 1033.96 o
-16 0 2 11102.81 11955.87 415.33 o
-14 0 2 10226.13 10864.45 550.99 o
-12 0 2 3732.62 3961.80 129.44 o
-10 0 2 24.45 272.36 97.20 o
-8 0 2 31078.42 29848.28 1144.77 o
-6 0 2 37641.87 41809.77 1275.78 o
-4 0 2 139039.48 127908.76 4591.42 o
0 0 2 196308.61 173434.59 4374.65 o
2 0 2 317630.63 276703.06 10026.87 o
4 0 2 319978.00 288024.03 5104.95 o
6 0 2 117317.00 118642.36 2479.39 o
8 0 2 55788.40 65376.16 7284.69 o
10 0 2 24034.12 27281.83 1291.97 o
12 0 2 21706.65 25872.22 2373.88 o
14 0 2 1242.94 1212.29 276.23 o
16 0 2 16.95 179.88 94.96 o
18 0 2 2305.22 3354.51 1121.24 o
-21 1 2 6.71 -47.96 47.96 o
-19 1 2 440.90 448.22 70.02 o
-17 1 2 881.31 745.08 32.66 o
-15 1 2 5987.37 6480.87 161.43 o
-13 1 2 3930.20 4284.27 95.48 o
-11 1 2 7917.15 8222.81 148.99 o
-9 1 2 1938.38 2150.34 95.95 o
-7 1 2 20834.36 18132.10 472.41 o
-5 1 2 7801.39 8982.00 175.66 o
-3 1 2 5539.18 6879.13 259.16 o
-1 1 2 4182.60 5782.73 115.97 o
1 1 2 10458.67 10714.50 294.05 o
3 1 2 2502.62 2158.15 39.46 o
5 1 2 774.92 1188.57 65.29 o
7 1 2 2762.96 2702.99 175.01 o
9 1 2 4173.11 4328.24 135.39 o
11 1 2 6960.27 7657.60 163.36 o
13 1 2 69.36 185.00 34.85 o
15 1 2 1166.13 1500.37 179.89 o
17 1 2 3877.56 4044.93 366.97 o
-20 2 2 19747.10 18494.97 358.54 o
-18 2 2 24909.27 24728.27 792.69 o
-16 2 2 25738.39 26741.46 1024.74 o
-14 2 2 3425.96 3574.36 60.07 o
-12 2 2 3579.99 3557.75 81.74 o
-10 2 2 839.88 950.82 33.74 o
-8 2 2 30078.23 32600.40 603.39 o
-6 2 2 77370.09 74929.75 941.57 o
-4 2 2 55039.56 54924.95 1144.07 o
-2 2 2 99453.21 91039.68 1797.32 o
0 2 2 153043.42 145630.78 1824.07 o
2 2 2 152851.73 142272.16 2059.64 o
4 2 2 228935.08 231458.94 3349.71 o
6 2 2 187509.77 190866.64 2766.56 o
8 2 2 58533.55 54275.25 1574.54 o
10 2 2 35034.06 33094.84 1118.92 o
12 2 2 3532.25 3076.44 220.76 o
14 2 2 345.47 362.53 85.90 o
16 2 2 1062.90 1208.39 218.81 o
18 2 2 602.13 567.03 58.71 o
-19 3 2 5578.28 5131.87 129.53 o
-17 3 2 13026.47 12686.29 250.93 o
-15 3 2 20194.66 19762.65 489.78 o
-13 3 2 26601.22 27021.98 839.42 o
-11 3 2 21233.76 21916.68 358.31 o
-9 3 2 56077.07 56545.63 639.21 o
-7 3 2 63557.06 64569.91 843.78 o
-5 3 2 31175.98 29970.22 380.95 o
-3 3 2 12222.96 12428.26 410.61 o
-1 3 2 4999.22 4183.00 198.31 o
1 3 2 193.64 277.19 12.18 o
3 3 2 166.67 246.38 12.98 o
5 3 2 3022.51 2762.80 60.50 o
7 3 2 6865.07 6792.01 297.36 o
9 3 2 18371.66 18634.81 412.67 o
11 3 2 22617.61 20832.05 518.28 o
13 3 2 31025.11 25220.59 3280.55 o
15 3 2 16749.19 15485.04 305.86 o
17 3 2 9926.12 10372.90 225.12 o
-20 4 2 12312.66 11093.68 692.50 o
-18 4 2 7217.61 6958.38 154.56 o
-16 4 2 1407.44 1308.92 56.59 o
-14 4 2 2269.63 2422.75 94.00 o
-12 4 2 3656.44 3385.91 107.42 o
-10 4 2 1404.00 1406.46 71.07 o
-8 4 2 2433.82 2466.55 39.76 o
-6 4 2 17690.31 17809.26 273.57 o
-4 4 2 71796.41 74096.57 1077.80 o
-2 4 2 103844.30 110779.34 1606.50 o
0 4 2 70542.63 69098.40 1004.58 o
2 4 2 47084.11 46412.23 678.41 o
4 4 2 48469.35 48698.23 752.56 o
6 4 2 41304.81 41495.77 611.18 o
8 4 2 37962.71 39685.38 800.78 o
10 4 2 20266.68 20984.25 645.69 o
12 4 2 5406.47 5358.70 101.49 o
14 4 2 22.04 -27.50 36.55 o
16 4 2 488.18 228.25 53.71 o
-17 5 2 15679.46 16022.69 313.96 o
-15 5 2 29989.82 30833.97 1023.41 o
-13 5 2 60702.87 62230.60 1122.23 o
-11 5 2 79452.44 82399.43 1475.77 o
-9 5 2 59244.17 57252.79 838.22 o
-7 5 2 55449.98 56674.89 717.98 o
-5 5 2 40533.91 41706.68 612.79 o
-3 5 2 21917.01 22409.31 528.49 o
-1 5 2 17157.60 19078.31 284.48 o
1 5 2 6707.05 6778.51 234.83 o
3 5 2 3013.18 2947.00 54.59 o
5 5 2 13904.07 14119.24 577.24 o
7 5 2 17879.42 18743.08 285.26 o
9 5 2 26229.93 26772.86 404.17 o
11 5 2 33608.02 33287.17 575.38 o
13 5 2 31721.18 31077.74 1201.81 o
15 5 2 32399.21 31515.72 1683.30 o
-16 6 2 583.61 528.60 150.59 o
-14 6 2 194.06 228.00 41.22 o
-12 6 2 800.97 757.08 43.94 o
-10 6 2 163.82 214.74 36.45 o
-8 6 2 4533.93 4639.24 213.89 o
-6 6 2 2034.13 2107.40 44.53 o
-4 6 2 2004.00 2355.31 84.47 o
-2 6 2 12111.69 13008.75 704.01 o
0 6 2 6782.16 7402.48 240.59 o
2 6 2 5649.29 5286.74 138.82 o
4 6 2 23444.72 23207.99 425.79 o
6 6 2 26531.28 26914.10 857.14 o
8 6 2 3824.35 3866.68 150.25 o
10 6 2 401.73 501.46 51.79 o
12 6 2 255.07 193.11 40.56 o
14 6 2 172.20 145.32 48.92 o
-13 7 2 41669.46 44373.27 1852.11 o
-11 7 2 46201.44 47456.00 863.59 o
-9 7 2 62942.53 66618.98 2599.28 o
-7 7 2 72048.80 72262.23 2362.37 o
-5 7 2 42061.57 43450.13 788.66 o
-3 7 2 14919.03 15389.03 354.61 o
-1 7 2 9249.45 8909.99 470.94 o
1 7 2 834.80 905.84 70.02 o
3 7 2 698.78 674.28 32.61 o
5 7 2 3350.08 3296.24 130.97 o
7 7 2 13601.96 14036.88 390.92 o
9 7 2 32611.40 34722.29 641.58 o
11 7 2 38877.71 41762.95 1668.91 o
-10 8 2 70.82 30.14 33.21 o
-8 8 2 0.67 74.36 34.41 o
-6 8 2 480.15 524.98 69.06 o
-4 8 2 316.21 353.31 69.06 o
-2 8 2 227.47 219.86 46.04 o
0 8 2 42.02 27.82 33.57 o
2 8 2 3.08 30.02 28.95 o
4 8 2 17.82 33.69 32.47 o
6 8 2 156.32 164.97 59.47 o
8 8 2 235.94 312.00 79.61 o
-5 9 2 24467.22 25148.73 669.48 o
-3 9 2 11449.08 11889.54 337.62 o
-1 9 2 2945.91 2587.77 118.93 o
1 9 2 853.98 796.23 73.85 o
3 9 2 337.71 537.12 76.73 o
-21 1 3 1464.25 1356.23 88.24 o
-19 1 3 12408.31 11778.04 655.09 o
-17 1 3 41094.32 41981.37 650.67 o
-15 1 3 55188.60 55022.17 626.03 o
-13 1 3 86428.27 88036.20 994.86 o
-11 1 3 176110.44 169386.59 2203.04 o
-9 1 3 183157.47 162925.91 5330.43 o
-7 1 3 148075.81 127143.14 6566.55 o
-5 1 3 196584.16 195749.92 2450.47 o
-3 1 3 137113.16 134966.55 3600.56 o
-1 1 3 16944.33 16409.60 552.14 o
1 1 3 119.07 370.95 11.14 o
3 1 3 129.62 221.21 45.69 o
5 1 3 9654.16 9147.31 194.91 o
7 1 3 11546.36 11430.70 241.98 o
9 1 3 23945.65 24087.48 1343.67 o
11 1 3 57734.60 62284.40 2155.93 o
13 1 3 63339.30 74809.52 4168.27 o
15 1 3 48341.37 55517.68 3330.18 o
17 1 3 40189.87 45979.00 2873.47 o
-22 2 3 6558.66 5816.24 195.67 o
-20 2 3 10583.75 10139.88 1157.69 o
-18 2 3 8739.46 8361.05 258.45 o
-16 2 3 4904.42 4843.08 138.95 o
-14 2 3 74.10 147.29 41.12 o
-12 2 3 106.81 179.65 15.30 o
-10 2 3 1391.06 1499.04 37.32 o
-8 2 3 192.11 225.21 19.19 o
-6 2 3 1372.49 1151.13 49.33 o
-4 2 3 10389.32 10685.61 173.33 o
-2 2 3 45683.91 43941.00 640.40 o
0 2 3 66961.13 64490.71 810.64 o
2 2 3 29155.89 28419.92 751.58 o
4 2 3 1555.74 1380.99 78.18 o
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