#------------------------------------------------------------------------------
#$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $
#$Revision: 717 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2221269.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_2221269_Fobs
loop_
_publ_author_name
'Li, Sheng'
'Zhang, Fu-Li'
'Wang, Shou-Bin'
'Bai, Hui-Ling'
_publ_section_title
;
 <i>catena</i>-Poly[[[diaquaterbium(III)]-\m-6-carboxynicotinato-\m-pyridine-2,5-dicarboxylato]
 dihydrate]
;
_journal_coeditor_code           BI2349
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m410
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   15.1070
_cell_length_b                   15.1070
_cell_length_c                   14.8587
_exptl_crystal_F_000             2192.00
_reflns_d_resolution_high        0.8321
_[local]_cod_data_source_file    bi2349Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  bi2349 in space group I-4'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            648.66
_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'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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 0 735.23 836.38 39.24 o
0 2 0 240381.58 209296.36 7540.54 o
2 2 0 62320.55 73757.16 3482.91 o
-1 3 0 51.52 186.28 84.28 o
1 3 0 12942.79 12264.11 1031.57 o
3 3 0 34587.37 34787.31 1116.03 o
-2 4 0 222536.23 226328.39 12544.31 o
0 4 0 3435.35 3727.79 189.59 o
2 4 0 2700.11 5029.57 197.07 o
4 4 0 1547.47 1851.88 201.17 o
-3 5 0 37652.63 36581.36 2231.15 o
-1 5 0 11497.25 11841.80 372.65 o
1 5 0 58093.56 51005.02 1944.12 o
3 5 0 69017.25 59301.49 2016.49 o
5 5 0 73641.73 66350.02 2452.75 o
-4 6 0 14162.09 15610.48 779.11 o
-2 6 0 51229.69 53113.43 1456.10 o
0 6 0 128.90 381.88 88.34 o
2 6 0 2573.79 3739.47 139.85 o
4 6 0 1115.31 1818.63 267.34 o
6 6 0 3206.64 3164.37 181.80 o
-5 7 0 55376.39 53949.47 1878.32 o
-3 7 0 2090.64 1978.21 139.67 o
-1 7 0 26771.68 25930.95 1099.19 o
1 7 0 74095.99 69314.20 2166.61 o
3 7 0 126400.47 118468.50 2670.07 o
5 7 0 112917.34 114738.46 2587.21 o
7 7 0 41533.25 38382.87 1112.90 o
-6 8 0 7115.50 7561.03 317.67 o
-4 8 0 56306.52 59461.84 2072.97 o
-2 8 0 30708.84 32758.66 792.06 o
0 8 0 5071.40 4883.54 215.37 o
2 8 0 3659.50 4894.91 220.35 o
4 8 0 2193.17 2836.78 138.86 o
6 8 0 4732.97 5830.54 268.48 o
8 8 0 354.19 136.28 95.58 o
-7 9 0 17928.76 19106.72 641.01 o
-5 9 0 12231.58 11249.20 424.36 o
-3 9 0 3646.92 3740.83 214.41 o
-1 9 0 38466.26 36998.49 1446.83 o
1 9 0 68495.43 64270.26 1648.03 o
3 9 0 67426.52 63650.68 1479.76 o
5 9 0 83552.70 81495.05 1870.95 o
7 9 0 43090.95 43575.44 1350.18 o
9 9 0 9856.40 9501.77 406.80 o
-8 10 0 14850.70 18435.53 1379.84 o
-6 10 0 18990.38 21424.89 714.53 o
-4 10 0 54281.84 63711.36 1794.04 o
-2 10 0 24006.91 26364.12 892.51 o
0 10 0 28964.29 33868.58 965.60 o
2 10 0 1150.50 928.90 99.94 o
4 10 0 9419.53 9402.69 301.05 o
6 10 0 5285.93 6053.47 291.15 o
8 10 0 88.25 -72.32 103.26 o
10 10 0 5294.46 4981.22 308.97 o
-9 11 0 7335.27 7823.69 536.39 o
-7 11 0 481.45 533.26 167.66 o
-5 11 0 153.66 113.31 121.14 o
-3 11 0 1142.48 1196.88 153.65 o
-1 11 0 6793.18 7009.99 319.35 o
1 11 0 20209.75 20434.39 552.15 o
3 11 0 25426.22 23851.68 624.99 o
5 11 0 16514.56 15627.39 540.09 o
7 11 0 9509.27 8892.33 385.04 o
9 11 0 929.68 775.10 167.18 o
11 11 0 17826.48 19626.12 1070.71 o
-10 12 0 160.51 256.49 176.93 o
-8 12 0 33094.60 36760.25 2525.09 o
-4 12 0 55729.11 68072.09 1939.11 o
-2 12 0 20722.22 25641.40 825.84 o
0 12 0 22401.04 23641.73 761.86 o
2 12 0 225.34 214.16 117.08 o
4 12 0 6799.37 7606.47 281.24 o
6 12 0 19748.28 20337.54 803.24 o
8 12 0 10205.70 10775.12 482.83 o
10 12 0 4607.42 4667.97 480.01 o
12 12 0 74.91 225.44 239.63 o
-11 13 0 21809.57 22301.29 3849.77 o
-9 13 0 13984.76 15220.86 1665.15 o
-7 13 0 14105.70 12818.59 852.31 o
-5 13 0 341.07 217.25 246.82 o
-3 13 0 36.99 -71.88 133.82 o
-1 13 0 2016.65 2114.58 212.34 o
1 13 0 2625.84 2641.28 217.77 o
3 13 0 3967.31 4159.85 255.74 o
5 13 0 3994.74 4048.49 267.57 o
7 13 0 1417.92 1475.35 196.62 o
9 13 0 366.67 96.76 164.82 o
11 13 0 8546.50 8495.73 720.07 o
-10 14 0 1260.21 1119.37 305.95 o
-8 14 0 4177.86 5549.91 690.96 o
-6 14 0 27265.58 32154.75 1318.56 o
-4 14 0 60619.68 77129.18 2695.07 o
-2 14 0 63957.01 73292.88 2547.18 o
0 14 0 11941.45 14359.45 554.19 o
2 14 0 5065.35 5798.61 319.87 o
4 14 0 21654.89 21887.71 1327.35 o
6 14 0 21054.45 23780.00 1718.55 o
8 14 0 41652.34 45233.89 2142.19 o
10 14 0 29466.59 34033.31 2105.07 o
-9 15 0 16377.54 18848.25 1897.37 o
-7 15 0 3601.76 3496.84 431.32 o
-5 15 0 4654.14 4672.32 454.23 o
-3 15 0 17985.44 18981.14 1038.69 o
-1 15 0 23325.20 23603.54 1005.61 o
1 15 0 4114.96 3630.39 362.47 o
3 15 0 175.81 259.40 310.91 o
5 15 0 10.01 -159.69 256.59 o
7 15 0 50.97 -236.27 250.92 o
9 15 0 129.79 382.52 209.66 o
-8 16 0 396.55 260.86 329.35 o
-6 16 0 1867.99 2320.07 666.70 o
-4 16 0 4597.44 5297.25 468.88 o
-2 16 0 17298.04 18347.12 867.51 o
0 16 0 2794.96 2756.78 338.17 o
2 16 0 1533.87 1231.83 389.82 o
4 16 0 17949.05 19180.57 1316.24 o
6 16 0 33806.63 36040.46 2102.41 o
8 16 0 41125.89 39596.60 2268.24 o
-5 17 0 2315.74 1929.27 374.52 o
-3 17 0 9735.20 10873.17 665.67 o
-1 17 0 28762.07 29060.88 1213.81 o
1 17 0 28101.09 28640.61 1180.55 o
3 17 0 9715.00 8172.46 824.43 o
5 17 0 1099.47 1157.64 416.75 o
-2 18 0 128.96 -54.24 248.95 o
0 18 0 1072.05 757.71 283.26 o
2 18 0 1879.09 1996.77 491.87 o
1 0 1 13805.52 15786.83 520.04 o
3 0 1 78916.85 80069.79 2100.95 o
5 0 1 79023.60 76402.74 1733.46 o
7 0 1 93935.34 88959.42 2029.52 o
9 0 1 42562.04 43250.03 1039.94 o
11 0 1 13661.18 15246.39 530.26 o
13 0 1 750.23 954.53 214.28 o
15 0 1 2129.95 2154.43 310.19 o
17 0 1 409.92 557.80 256.29 o
-18 1 1 6849.50 7352.75 806.00 o
-14 1 1 41468.30 46860.23 1697.41 o
-12 1 1 44843.18 47590.85 1371.30 o
-10 1 1 26885.80 27009.06 687.24 o
-8 1 1 12159.21 12151.66 346.94 o
-6 1 1 8703.87 8814.16 251.51 o
-4 1 1 10715.24 9679.63 253.88 o
-2 1 1 16709.77 16349.65 441.94 o
0 1 1 13727.09 14642.13 400.81 o
2 1 1 2111.25 2817.40 156.94 o
4 1 1 7467.71 9364.57 332.51 o
6 1 1 5647.95 5852.48 209.62 o
8 1 1 10161.51 10423.98 305.09 o
10 1 1 22098.00 20105.93 565.58 o
12 1 1 35692.59 40796.65 1196.50 o
14 1 1 29799.71 34259.93 1326.79 o
16 1 1 15175.56 18241.02 860.39 o
18 1 1 2455.79 2304.26 367.85 o
-17 2 1 8873.69 8838.61 823.01 o
-15 2 1 562.79 715.56 214.74 o
-13 2 1 1136.34 1109.94 161.79 o
-11 2 1 2626.13 2854.93 169.29 o
-9 2 1 19148.46 19796.63 522.95 o
-7 2 1 38772.54 39229.76 934.01 o
-5 2 1 58064.13 55746.46 1285.49 o
-3 2 1 43502.77 43115.76 1149.31 o
-1 2 1 2116.06 2729.21 108.93 o
1 2 1 17097.37 16017.69 494.12 o
3 2 1 245336.55 253554.27 11896.85 o
5 2 1 418159.72 439570.72 24736.98 o
7 2 1 165173.83 170912.44 3821.48 o
9 2 1 38119.96 38891.59 931.23 o
11 2 1 14192.36 15411.05 544.42 o
13 2 1 4245.96 4923.20 405.39 o
15 2 1 9147.81 9625.63 585.09 o
17 2 1 6403.58 6728.30 530.48 o
-16 3 1 18746.69 21326.91 1415.46 o
-14 3 1 44400.83 46654.04 1686.09 o
-12 3 1 46946.40 52666.99 1272.72 o
-10 3 1 31925.42 32141.52 804.89 o
-8 3 1 1224.93 1355.55 100.99 o
-6 3 1 24488.70 27270.38 663.24 o
-4 3 1 45450.99 44713.27 1239.20 o
-2 3 1 246641.31 262910.91 8861.95 o
0 3 1 78978.95 71755.05 2162.48 o
2 3 1 42601.25 41105.24 944.96 o
4 3 1 34112.72 38367.98 2536.79 o
6 3 1 13540.83 14094.64 1076.48 o
8 3 1 996.92 744.52 157.68 o
10 3 1 8068.18 7966.00 338.75 o
12 3 1 11601.49 12298.49 726.25 o
14 3 1 17660.17 20601.94 921.49 o
16 3 1 8994.82 9553.19 610.24 o
-17 4 1 4170.52 4387.19 596.75 o
-15 4 1 1658.36 1446.32 369.03 o
-13 4 1 3554.39 3590.79 252.15 o
-11 4 1 7470.25 7369.28 267.27 o
-9 4 1 1924.50 1788.26 122.93 o
-7 4 1 8773.54 9649.37 284.18 o
-5 4 1 6191.25 6336.76 242.21 o
-3 4 1 34415.35 40061.61 1102.16 o
1 4 1 11057.18 9936.67 259.95 o
3 4 1 46838.36 43151.82 2386.60 o
5 4 1 151019.83 144310.20 9816.00 o
7 4 1 118910.70 118755.54 6077.27 o
9 4 1 40327.00 45446.50 1297.63 o
11 4 1 4970.78 5581.51 293.79 o
13 4 1 17881.12 19542.89 892.40 o
15 4 1 21172.78 23235.51 1079.08 o
17 4 1 17488.06 19047.77 950.42 o
-16 5 1 14598.38 13675.57 1033.72 o
-14 5 1 24588.09 24981.80 1520.82 o
-12 5 1 18787.13 19464.70 646.69 o
-10 5 1 7998.76 7932.36 273.75 o
-8 5 1 1703.56 1598.21 141.55 o
-6 5 1 23224.56 22102.61 669.57 o
-4 5 1 151773.61 162931.78 4281.58 o
-2 5 1 420755.78 410598.19 10548.74 o
0 5 1 77731.67 67952.88 1805.84 o
2 5 1 58239.77 52425.37 2858.08 o
4 5 1 6148.79 5677.12 347.03 o
6 5 1 20854.99 21198.62 1142.70 o
8 5 1 27038.87 27583.99 1330.49 o
10 5 1 10975.87 11027.29 430.81 o
12 5 1 1083.55 1078.36 179.24 o
14 5 1 65.39 164.36 240.79 o
16 5 1 536.15 807.87 306.64 o
-17 6 1 1820.36 2128.15 493.76 o
-15 6 1 1156.12 1133.98 367.14 o
-13 6 1 10371.34 11192.10 453.10 o
-11 6 1 17235.60 16023.08 652.35 o
-9 6 1 46218.11 50641.19 2280.18 o
-7 6 1 10798.96 10898.62 396.47 o
-5 6 1 20819.58 24110.77 725.33 o
-3 6 1 13636.62 12440.67 410.91 o
-1 6 1 5568.63 5387.08 199.19 o
1 6 1 8719.65 8235.07 299.23 o
3 6 1 24433.76 25027.88 1788.62 o
7 6 1 24104.76 21275.46 1585.74 o
9 6 1 16738.15 15160.15 530.19 o
11 6 1 13639.12 14068.95 663.21 o
13 6 1 25912.48 26994.68 1136.67 o
15 6 1 22127.70 25636.64 1144.03 o
17 6 1 27176.10 33130.68 1430.31 o
-16 7 1 744.91 207.90 332.64 o
-14 7 1 11347.29 11299.06 926.95 o
-12 7 1 12896.27 13869.35 552.46 o
-10 7 1 95.84 40.10 107.31 o
-8 7 1 6192.00 6356.06 297.70 o
-6 7 1 23810.62 22000.96 972.07 o
-4 7 1 119254.34 120886.60 4070.82 o
-2 7 1 165688.70 170809.36 5163.11 o
0 7 1 93995.34 87673.60 1982.75 o
2 7 1 38720.27 37764.22 1646.78 o
4 7 1 8756.55 9185.20 289.82 o
6 7 1 10709.70 10559.72 678.03 o
8 7 1 23571.15 21743.28 728.47 o
10 7 1 30930.46 31582.58 1601.84 o
12 7 1 34192.83 37869.59 1473.78 o
14 7 1 4252.42 4496.36 458.21 o
16 7 1 619.96 584.29 327.28 o
-15 8 1 2215.15 2412.57 460.21 o
-13 8 1 15245.81 17357.90 1311.13 o
-11 8 1 30258.86 33840.58 1868.32 o
-9 8 1 51194.90 52873.83 2527.92 o
-7 8 1 23632.57 24238.99 1137.05 o
-5 8 1 27068.08 28997.30 877.16 o
-3 8 1 960.43 743.14 106.09 o
-1 8 1 10061.56 10240.96 451.16 o
1 8 1 12019.83 12084.28 461.94 o
3 8 1 1206.61 1226.76 120.67 o
5 8 1 1682.90 1670.69 109.33 o
7 8 1 6141.30 5543.21 269.15 o
9 8 1 5019.15 4122.88 256.42 o
11 8 1 5044.97 5553.06 554.19 o
13 8 1 6544.63 6285.99 687.42 o
15 8 1 13535.84 15724.30 1721.38 o
-14 9 1 2125.46 2087.88 301.02 o
-12 9 1 1887.02 1833.30 219.23 o
-10 9 1 4559.88 5325.75 577.67 o
-8 9 1 4968.33 4474.07 267.36 o
-6 9 1 16895.96 17460.87 597.18 o
-4 9 1 40572.54 44382.07 1292.36 o
-2 9 1 37873.56 38056.25 1123.61 o
0 9 1 42621.02 44426.69 1296.27 o
2 9 1 19240.94 19049.33 669.37 o
4 9 1 1934.46 1631.82 118.72 o
6 9 1 46359.26 47119.88 2177.82 o
8 9 1 50920.14 49880.36 2121.95 o
10 9 1 55690.86 60806.31 2759.10 o
12 9 1 48217.86 54060.30 4684.59 o
14 9 1 11054.46 11716.02 1183.49 o
-15 10 1 1628.82 1990.63 445.56 o
-13 10 1 14828.55 17412.44 1535.24 o
-11 10 1 72864.61 82045.83 5046.29 o
-9 10 1 55624.42 65690.00 3598.40 o
-7 10 1 31137.79 34717.36 1065.12 o
-5 10 1 11054.26 9865.04 409.85 o
-3 10 1 8084.93 8144.07 349.50 o
-1 10 1 22193.26 20599.20 663.54 o
1 10 1 27205.27 27407.81 693.60 o
3 10 1 31949.33 32546.24 912.76 o
5 10 1 8081.49 7616.03 366.06 o
7 10 1 106.54 155.78 111.68 o
9 10 1 4594.70 5188.51 302.52 o
11 10 1 602.12 483.68 170.36 o
13 10 1 1237.12 1369.10 308.35 o
15 10 1 3307.74 3502.74 483.93 o
-14 11 1 5388.85 5941.07 675.13 o
-12 11 1 6033.42 7086.30 698.76 o
-10 11 1 620.83 715.80 242.04 o
-8 11 1 5074.42 5873.29 434.69 o
-6 11 1 13624.80 13840.96 826.61 o
-4 11 1 4887.42 4881.28 283.30 o
-2 11 1 14215.46 15218.81 543.19 o
0 11 1 13663.64 15495.94 719.25 o
2 11 1 2637.80 2928.61 168.34 o
4 11 1 7434.28 7213.01 264.41 o
6 11 1 17009.81 14463.57 885.52 o
8 11 1 30115.40 31759.44 1447.46 o
10 11 1 73248.84 80461.10 3480.64 o
12 11 1 25599.71 27456.95 943.97 o
14 11 1 4239.59 4993.07 505.89 o
-13 12 1 6752.43 7751.30 947.97 o
-11 12 1 25605.01 27965.60 3896.30 o
-9 12 1 47993.31 56232.67 7454.57 o
-7 12 1 34176.41 39121.80 1461.69 o
-3 12 1 11657.93 12174.07 701.65 o
-1 12 1 35835.35 39031.79 1179.90 o
1 12 1 45124.83 47750.48 1377.52 o
3 12 1 46811.09 51949.35 1317.07 o
5 12 1 18806.30 18236.25 815.61 o
7 12 1 12894.43 13570.26 809.34 o
9 12 1 1864.55 1499.89 203.52 o
11 12 1 6015.76 5668.90 366.17 o
13 12 1 693.81 795.88 324.92 o
-12 13 1 690.04 577.29 290.17 o
-10 13 1 1199.41 1247.04 249.70 o
-8 13 1 6401.46 6550.33 428.24 o
-6 13 1 25751.44 26259.08 1111.59 o
-4 13 1 17934.95 19738.19 709.13 o
-2 13 1 4329.31 5213.47 339.98 o
0 13 1 737.38 573.61 157.47 o
2 13 1 1146.71 894.02 150.87 o
4 13 1 3590.48 3346.70 313.97 o
6 13 1 10315.21 10043.99 428.55 o
8 13 1 15330.24 16827.11 1126.31 o
10 13 1 14852.29 16308.10 857.35 o
12 13 1 6662.23 7349.50 820.49 o
-11 14 1 4242.92 4856.54 1040.38 o
-9 14 1 11096.08 12045.91 1505.46 o
-7 14 1 4241.93 4441.14 999.78 o
-5 14 1 71.19 -163.94 163.94 o
-3 14 1 17530.41 20905.47 752.00 o
-1 14 1 29708.02 34548.77 1083.66 o
1 14 1 41661.68 46032.04 1361.58 o
3 14 1 44510.99 46997.39 2408.56 o
5 14 1 24635.59 24770.70 2283.12 o
7 14 1 11356.36 11017.18 609.14 o
9 14 1 2110.74 1742.32 243.61 o
11 14 1 5385.59 5736.62 578.53 o
-10 15 1 3283.68 3813.03 832.77 o
-6 15 1 22010.91 23827.60 1562.87 o
-4 15 1 20853.58 21516.69 1932.79 o
-2 15 1 9067.86 8848.23 553.74 o
0 15 1 2158.24 2216.28 235.04 o
2 15 1 590.82 777.00 184.30 o
4 15 1 1688.56 1387.45 262.93 o
6 15 1 1171.25 1008.92 265.71 o
8 15 1 2244.66 1910.28 327.08 o
10 15 1 1632.05 1413.04 249.58 o
-7 16 1 636.46 703.73 342.08 o
-5 16 1 536.32 782.06 292.61 o
-3 16 1 8980.15 10061.89 606.27 o
-1 16 1 15091.96 16932.61 817.93 o
1 16 1 23136.66 26328.57 1087.33 o
3 16 1 18561.88 19640.74 1337.03 o
5 16 1 14553.70 12946.11 1021.91 o
7 16 1 752.13 450.76 362.88 o
-6 17 1 27072.87 28596.04 1838.78 o
-4 17 1 17576.15 19373.78 941.13 o
-2 17 1 6414.15 7582.99 541.26 o
0 17 1 392.50 481.09 239.27 o
2 17 1 8819.19 8669.48 840.49 o
4 17 1 4123.76 4634.74 657.23 o
6 17 1 1833.82 1716.60 459.74 o
-1 18 1 2524.41 2470.75 474.86 o
1 18 1 6884.55 7434.49 811.67 o
0 0 2 275189.56 246120.50 11568.39 o
2 0 2 182529.92 187609.31 5872.88 o
4 0 2 39233.45 36854.29 960.88 o
6 0 2 6836.90 7954.83 227.14 o
8 0 2 16534.17 16496.55 439.40 o
10 0 2 19968.28 20008.48 536.77 o
12 0 2 34175.15 35827.58 2313.83 o
14 0 2 7375.10 6637.78 871.20 o
16 0 2 10899.12 11292.57 644.62 o
18 0 2 1249.79 1369.34 321.74 o
-17 1 2 13328.58 15311.98 1046.01 o
-15 1 2 15666.93 17741.46 810.75 o
-13 1 2 398.46 452.29 186.01 o
-11 1 2 20895.00 23065.23 771.96 o
-9 1 2 38205.71 42326.88 1215.19 o
-7 1 2 103599.97 107303.69 2421.62 o
-5 1 2 33881.94 38592.11 1050.28 o
-3 1 2 14550.09 14605.74 412.16 o
-1 1 2 15557.89 16415.84 864.79 o
1 1 2 15562.38 15813.23 424.62 o
3 1 2 8644.16 8857.93 258.57 o
5 1 2 2526.52 2095.54 225.81 o
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