#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/99/2229930.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_2229930_Fobs
loop_
_publ_author_name
'Ghiasi, Reza'
_publ_section_title
;
 Dibromidobis(pyridine-3-carbonitrile-\k<i>N</i>^1^)mercury(II)
;
_journal_coeditor_code           BT5511
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m595
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.935
_cell_angle_beta                 71.435
_cell_angle_gamma                80.508
_cell_length_a                   8.5823
_cell_length_b                   9.4069
_cell_length_c                   9.8562
_exptl_crystal_F_000             516.00
_reflns_d_resolution_high        0.7293
_[local]_cod_data_source_file    bt5511Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' INTENS'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            270.15
_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'
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 0 0 15564.00 14189.39 149.70 o
2 0 0 347.93 327.43 46.74 o
3 0 0 8298.82 7914.08 140.39 o
4 0 0 10756.41 10447.24 116.03 o
5 0 0 20027.69 19328.57 276.77 o
6 0 0 5869.69 5532.88 286.34 o
7 0 0 7.15 33.21 63.76 o
8 0 0 6731.28 6762.57 129.73 o
9 0 0 3250.37 3272.56 134.75 o
10 0 0 559.97 524.78 23.47 o
11 0 0 165.99 143.47 22.71 o
-10 1 0 316.08 329.21 24.52 o
-9 1 0 580.75 668.73 68.40 o
-8 1 0 123.08 190.36 41.03 o
-7 1 0 130.48 176.49 49.44 o
-6 1 0 8200.33 7703.52 264.77 o
-5 1 0 1913.94 1794.74 42.07 o
-4 1 0 1394.29 1267.08 36.02 o
-3 1 0 6940.55 6503.99 324.67 o
-2 1 0 182.19 194.94 44.10 o
-1 1 0 17310.46 15591.44 504.05 o
0 1 0 3071.71 2847.44 44.05 o
1 1 0 2243.04 2355.38 83.73 o
2 1 0 59481.35 49802.96 192.48 o
3 1 0 16687.42 15388.53 273.57 o
4 1 0 1338.22 1371.85 39.56 o
5 1 0 2222.34 2083.22 30.51 o
6 1 0 2059.94 2004.36 32.55 o
7 1 0 5319.73 5417.12 259.54 o
8 1 0 2337.82 2234.01 27.81 o
9 1 0 142.73 202.01 20.63 o
10 1 0 1565.35 1620.68 74.58 o
11 1 0 1856.98 1665.07 32.44 o
-10 2 0 52.00 66.14 22.35 o
-9 2 0 2287.84 2123.74 83.64 o
-8 2 0 3154.51 3105.65 250.57 o
-7 2 0 5690.73 5455.23 198.21 o
-6 2 0 5022.06 4697.63 233.13 o
-5 2 0 99.44 100.97 29.12 o
-4 2 0 24343.12 22785.95 598.00 o
-3 2 0 30881.00 29479.94 1210.59 o
-2 2 0 5066.61 4934.43 84.09 o
-1 2 0 72.51 70.59 12.49 o
0 2 0 1117.52 1090.77 23.43 o
1 2 0 29157.24 28548.46 405.58 o
2 2 0 70620.92 59425.63 320.84 o
3 2 0 3023.54 2863.81 159.53 o
4 2 0 7912.90 7651.67 161.82 o
5 2 0 11857.02 11815.41 190.76 o
6 2 0 2512.75 2476.15 30.08 o
7 2 0 1610.51 1627.43 73.39 o
8 2 0 124.80 131.79 17.29 o
9 2 0 547.41 588.98 23.97 o
10 2 0 2239.53 2294.76 96.39 o
11 2 0 359.61 361.27 38.78 o
-10 3 0 1932.19 1719.28 55.21 o
-9 3 0 1296.05 1311.82 65.16 o
-8 3 0 255.47 317.66 45.94 o
-7 3 0 1267.82 1119.11 136.26 o
-6 3 0 1652.56 1608.55 179.85 o
-5 3 0 2691.71 2712.79 141.58 o
-4 3 0 3776.39 3737.33 110.68 o
-3 3 0 35.63 21.06 16.73 o
-2 3 0 22817.96 21113.03 263.82 o
-1 3 0 37176.40 33057.23 150.12 o
0 3 0 676.17 583.53 15.90 o
1 3 0 220.40 227.36 31.91 o
2 3 0 2601.05 2670.03 180.80 o
3 3 0 21218.72 21069.80 280.64 o
4 3 0 33162.21 31908.58 964.00 o
5 3 0 3454.45 3273.05 33.98 o
6 3 0 4246.66 4265.21 36.11 o
7 3 0 8529.21 8445.92 225.64 o
8 3 0 3661.80 3771.61 31.25 o
9 3 0 1460.73 1548.72 56.54 o
10 3 0 138.16 156.46 27.66 o
11 3 0 506.82 486.96 24.83 o
-10 4 0 1958.90 1789.35 136.23 o
-9 4 0 496.41 507.90 65.34 o
-8 4 0 1214.61 1125.96 41.52 o
-7 4 0 5947.52 5929.37 185.16 o
-6 4 0 2456.76 2705.72 94.58 o
-5 4 0 791.24 784.64 22.89 o
-4 4 0 1421.90 1475.80 22.52 o
-3 4 0 1162.44 1123.38 27.45 o
-2 4 0 16781.93 15501.32 391.37 o
-1 4 0 12718.54 12011.32 1773.43 o
0 4 0 613.97 596.59 15.53 o
1 4 0 6876.50 6500.34 54.79 o
2 4 0 2441.35 2335.09 65.58 o
3 4 0 1337.32 1384.93 67.42 o
4 4 0 4108.47 4368.25 54.79 o
5 4 0 818.96 799.87 29.04 o
6 4 0 7073.63 7213.71 68.99 o
7 4 0 3556.09 3614.24 32.35 o
8 4 0 98.77 114.55 18.67 o
9 4 0 552.20 559.85 62.72 o
10 4 0 529.06 540.17 27.96 o
-9 5 0 1834.98 1801.06 125.97 o
-8 5 0 3811.20 3932.20 182.63 o
-7 5 0 787.68 916.89 91.48 o
-6 5 0 3788.11 3913.51 30.25 o
-5 5 0 11500.91 11316.94 94.32 o
-4 5 0 7557.67 7869.84 183.58 o
-3 5 0 1328.38 1276.26 27.11 o
-2 5 0 564.14 562.75 19.00 o
-1 5 0 4649.83 4346.78 83.86 o
0 5 0 26966.07 25116.67 212.52 o
1 5 0 28956.37 27405.46 91.28 o
2 5 0 9.68 53.84 30.19 o
3 5 0 5826.04 5608.46 75.40 o
4 5 0 7534.16 7759.40 178.81 o
5 5 0 7454.91 7732.91 179.94 o
6 5 0 7602.22 7965.58 66.85 o
7 5 0 3.57 -1.57 24.51 o
8 5 0 3439.91 3765.09 201.51 o
9 5 0 4279.86 4431.83 140.39 o
10 5 0 902.44 872.24 87.44 o
-9 6 0 235.78 271.42 22.67 o
-8 6 0 335.05 401.40 20.36 o
-7 6 0 45.05 62.70 19.27 o
-6 6 0 2903.18 2969.35 24.75 o
-5 6 0 3485.85 3712.80 41.15 o
-4 6 0 47.47 63.63 17.37 o
-3 6 0 2334.18 2216.15 87.20 o
-2 6 0 925.77 923.85 14.58 o
-1 6 0 153.94 142.70 14.77 o
0 6 0 2719.87 2683.05 57.36 o
1 6 0 41.64 63.82 19.61 o
2 6 0 6825.28 6651.04 53.42 o
3 6 0 8028.31 7775.97 60.26 o
4 6 0 162.43 157.03 33.29 o
5 6 0 1254.23 1340.00 41.72 o
6 6 0 1429.05 1457.42 30.51 o
7 6 0 1603.85 1655.57 66.32 o
8 6 0 2303.80 2365.18 32.36 o
9 6 0 116.53 141.05 24.29 o
10 6 0 1089.83 1037.18 84.92 o
-8 7 0 2139.03 2211.76 52.15 o
-7 7 0 2591.99 2703.22 54.86 o
-6 7 0 2217.84 2411.55 51.06 o
-5 7 0 12.96 52.53 16.65 o
-4 7 0 7614.36 7823.59 180.86 o
-3 7 0 15395.21 15102.28 228.17 o
-2 7 0 4650.69 4401.94 589.78 o
-1 7 0 83.01 98.82 13.27 o
0 7 0 675.86 637.09 16.33 o
1 7 0 3691.55 3422.21 38.80 o
2 7 0 10921.23 10964.57 61.33 o
3 7 0 6135.27 5906.38 48.43 o
4 7 0 646.14 593.96 31.32 o
5 7 0 5461.68 5589.51 62.87 o
6 7 0 2600.62 2862.12 51.17 o
7 7 0 591.58 609.62 54.70 o
8 7 0 68.16 81.12 25.93 o
9 7 0 316.89 284.34 24.75 o
-7 8 0 934.58 954.34 24.00 o
-6 8 0 754.75 789.78 32.32 o
-5 8 0 704.41 748.89 67.04 o
-4 8 0 1750.52 1873.24 70.60 o
-3 8 0 78.61 128.83 22.83 o
-2 8 0 4601.98 4700.63 70.14 o
-1 8 0 8476.26 8564.56 78.65 o
0 8 0 3025.98 2888.21 33.40 o
1 8 0 271.95 302.12 20.86 o
2 8 0 1072.07 1079.35 32.98 o
3 8 0 1219.14 1241.64 29.36 o
4 8 0 6543.59 6797.58 59.66 o
5 8 0 2908.64 3133.04 50.81 o
6 8 0 241.78 232.53 43.56 o
7 8 0 2851.24 2985.36 99.18 o
8 8 0 1806.12 1779.60 137.72 o
9 8 0 830.39 730.04 30.67 o
-6 9 0 1912.71 2040.99 86.02 o
-5 9 0 570.59 622.22 38.36 o
-4 9 0 0.37 9.70 16.68 o
-3 9 0 156.08 205.28 18.07 o
-2 9 0 4128.39 4228.36 51.28 o
-1 9 0 5787.90 5833.29 62.53 o
0 9 0 56.40 45.58 19.14 o
1 9 0 2475.70 2317.07 30.66 o
2 9 0 925.04 911.00 35.89 o
3 9 0 1303.50 1303.80 38.80 o
4 9 0 173.08 188.32 35.54 o
5 9 0 161.33 170.20 35.48 o
6 9 0 1035.86 989.20 33.75 o
7 9 0 1830.25 2131.77 196.28 o
8 9 0 256.29 230.27 45.10 o
-5 10 0 4043.55 4014.73 118.13 o
-4 10 0 2267.43 2339.83 27.67 o
-3 10 0 799.01 908.15 52.70 o
-2 10 0 1.00 15.10 16.53 o
-1 10 0 729.14 779.77 21.75 o
0 10 0 5574.02 5571.63 45.40 o
1 10 0 5807.48 5656.26 39.99 o
2 10 0 1331.83 1242.23 28.11 o
3 10 0 2300.82 2362.29 39.76 o
4 10 0 1631.28 1757.63 41.42 o
5 10 0 1727.31 1752.70 50.27 o
6 10 0 1250.00 1345.22 35.18 o
7 10 0 212.87 202.23 29.71 o
-4 11 0 269.62 221.51 22.05 o
-3 11 0 554.06 575.31 24.17 o
-2 11 0 549.97 516.67 27.28 o
-1 11 0 342.40 330.70 24.07 o
0 11 0 219.39 252.56 23.59 o
1 11 0 143.30 170.49 24.48 o
2 11 0 913.78 873.08 36.49 o
3 11 0 2008.07 2031.76 42.37 o
4 11 0 703.89 637.10 31.97 o
5 11 0 106.73 234.32 34.47 o
6 11 0 406.73 554.56 46.59 o
-1 12 0 5.93 19.31 25.61 o
0 12 0 417.37 386.98 32.09 o
1 12 0 993.24 833.80 29.18 o
2 12 0 1752.72 1591.54 34.11 o
3 12 0 1056.28 1024.08 37.79 o
4 12 0 0.31 33.52 31.67 o
5 12 0 1266.49 1167.48 44.87 o
-4 -12 1 1229.33 1232.43 38.63 o
-3 -12 1 399.72 331.00 31.14 o
-2 -12 1 59.27 145.77 38.03 o
-1 -12 1 436.68 406.77 39.70 o
0 -12 1 204.12 199.19 26.44 o
1 -12 1 302.07 357.21 35.77 o
-6 -11 1 852.09 893.17 42.19 o
-5 -11 1 1251.67 1351.28 37.56 o
-4 -11 1 1211.53 1148.52 41.95 o
-3 -11 1 6.65 83.26 26.98 o
-2 -11 1 3990.47 3745.01 40.71 o
-1 -11 1 2706.36 2467.00 38.75 o
0 -11 1 497.42 526.39 25.02 o
1 -11 1 7.29 48.55 23.00 o
2 -11 1 143.84 169.30 53.66 o
3 -11 1 1883.00 1877.27 32.20 o
4 -11 1 1511.47 1434.69 37.83 o
-7 -10 1 762.64 855.61 38.86 o
-6 -10 1 15.99 88.66 30.07 o
-5 -10 1 222.78 247.86 37.85 o
-4 -10 1 361.61 379.20 36.84 o
-3 -10 1 1531.52 1628.56 33.40 o
-2 -10 1 1714.54 1659.76 31.32 o
-1 -10 1 11.58 72.68 20.74 o
0 -10 1 3915.69 3779.59 39.87 o
1 -10 1 3568.08 3489.71 33.52 o
2 -10 1 484.47 504.79 25.64 o
3 -10 1 41.63 84.31 19.57 o
4 -10 1 222.61 231.63 69.85 o
5 -10 1 2192.45 2041.51 68.55 o
-8 -9 1 1330.54 1204.30 99.18 o
-7 -9 1 365.93 324.64 56.04 o
-6 -9 1 908.83 1001.92 33.16 o
-5 -9 1 2180.80 2388.32 47.54 o
-4 -9 1 1441.04 1563.61 46.23 o
-3 -9 1 899.08 908.68 40.83 o
-2 -9 1 183.48 239.60 29.59 o
-1 -9 1 665.13 644.59 31.61 o
0 -9 1 5111.41 5059.98 43.26 o
1 -9 1 3299.79 3510.89 32.30 o
2 -9 1 143.07 168.21 16.60 o
3 -9 1 912.63 850.37 40.53 o
4 -9 1 303.63 321.43 27.82 o
5 -9 1 393.84 444.53 50.22 o
6 -9 1 219.71 222.65 25.69 o
-9 -8 1 0.54 33.13 26.75 o
-8 -8 1 210.10 204.69 29.56 o
-7 -8 1 1312.47 1364.01 35.08 o
-6 -8 1 2415.45 2554.66 132.22 o
-5 -8 1 1277.61 1486.18 35.06 o
-4 -8 1 1143.58 1259.77 46.29 o
-3 -8 1 7360.04 7702.88 54.49 o
-2 -8 1 3699.83 3548.37 36.25 o
-1 -8 1 2159.38 2174.56 29.00 o
0 -8 1 696.78 668.06 26.74 o
1 -8 1 2365.99 2302.02 27.67 o
2 -8 1 10815.22 10535.15 81.78 o
3 -8 1 7950.61 8093.47 104.46 o
4 -8 1 204.29 231.95 18.12 o
5 -8 1 1369.28 1377.34 35.30 o
6 -8 1 1969.77 2206.93 108.11 o
7 -8 1 2001.56 1953.20 93.06 o
-9 -7 1 757.11 731.39 30.17 o
-8 -7 1 416.52 406.87 27.73 o
-7 -7 1 177.34 220.77 25.60 o
-6 -7 1 655.13 695.83 50.81 o
-5 -7 1 34.36 65.21 31.94 o
-4 -7 1 2962.37 3137.32 107.56 o
-3 -7 1 3470.88 3554.73 48.97 o
-2 -7 1 123.87 103.16 24.78 o
-1 -7 1 1292.65 1275.45 27.57 o
0 -7 1 1453.72 1497.56 23.23 o
1 -7 1 430.76 419.48 14.36 o
2 -7 1 2151.52 2110.64 30.30 o
3 -7 1 0.84 24.66 20.17 o
4 -7 1 3081.24 3015.99 65.32 o
5 -7 1 3362.33 3644.40 65.08 o
6 -7 1 28.56 79.81 19.46 o
7 -7 1 355.91 410.57 24.95 o
8 -7 1 747.89 810.62 53.41 o
-10 -6 1 1672.75 1589.11 32.44 o
-9 -6 1 1797.52 1889.27 58.24 o
-8 -6 1 6.52 23.49 20.78 o
-7 -6 1 1727.10 1948.18 32.46 o
-6 -6 1 2990.62 3119.27 87.59 o
-5 -6 1 3087.14 3119.07 42.61 o
-4 -6 1 4134.57 4220.73 53.52 o
-3 -6 1 153.84 176.26 45.15 o
-2 -6 1 7201.91 6887.67 54.37 o
-1 -6 1 21527.85 20201.16 78.32 o
0 -6 1 7442.24 7256.00 44.16 o
1 -6 1 361.89 377.16 14.49 o
2 -6 1 1094.77 1082.25 24.69 o
3 -6 1 3879.24 3739.79 62.94 o
4 -6 1 11879.75 11842.12 185.80 o
5 -6 1 4195.54 4503.05 29.24 o
6 -6 1 50.76 88.74 19.49 o
7 -6 1 2648.58 2913.98 90.45 o
8 -6 1 1620.14 1633.80 78.91 o
9 -6 1 481.47 523.26 23.39 o
-10 -5 1 236.17 247.65 24.64 o
-9 -5 1 1.92 37.59 25.05 o
-8 -5 1 1377.78 1517.25 47.42 o
-7 -5 1 2504.52 2664.12 52.38 o
-6 -5 1 79.77 71.12 23.90 o
-5 -5 1 1401.59 1472.17 31.10 o
-4 -5 1 1669.68 1551.84 33.72 o
-3 -5 1 1065.08 1030.80 37.69 o
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-1 -5 1 426.16 399.82 30.13 o
0 -5 1 5260.56 5196.19 121.32 o
1 -5 1 17703.42 16762.93 119.43 o
2 -5 1 5732.65 5503.51 87.77 o
3 -5 1 18.38 54.08 17.95 o
4 -5 1 1349.70 1373.25 26.99 o
5 -5 1 3523.37 3690.26 28.15 o
6 -5 1 6693.12 7135.81 71.99 o
7 -5 1 2933.88 3105.94 141.92 o
8 -5 1 268.84 293.16 19.33 o
9 -5 1 2227.55 2422.97 95.65 o
-10 -4 1 438.66 360.15 23.38 o
-9 -4 1 1467.69 1552.28 37.97 o
-8 -4 1 3432.65 3489.67 82.78 o
-7 -4 1 2591.47 2685.91 108.66 o
-6 -4 1 498.02 445.63 25.54 o
-5 -4 1 8009.69 8077.62 98.85 o
-4 -4 1 6387.13 6075.92 116.68 o
-3 -4 1 1013.82 900.98 34.38 o
-2 -4 1 1295.80 1341.82 43.67 o
-1 -4 1 293.62 292.13 21.17 o
0 -4 1 8156.63 7885.67 81.12 o
1 -4 1 16303.46 14885.54 2274.00 o
2 -4 1 2196.64 2171.96 18.46 o
3 -4 1 1774.64 1629.63 55.33 o
4 -4 1 5154.78 5355.50 122.10 o
5 -4 1 913.61 851.40 43.63 o
6 -4 1 1608.56 1695.35 55.45 o
7 -4 1 150.74 163.92 16.32 o
8 -4 1 859.44 901.45 49.70 o
9 -4 1 1497.54 1477.28 79.86 o
10 -4 1 146.68 156.12 22.61 o
-10 -3 1 995.24 1012.27 25.17 o
-9 -3 1 40.53 45.14 19.93 o
-8 -3 1 670.92 696.97 36.37 o
-7 -3 1 1729.83 1784.29 31.02 o
-6 -3 1 6210.60 6277.02 102.36 o
-5 -3 1 4135.50 4365.40 241.21 o
-4 -3 1 2566.73 2674.59 40.62 o
-3 -3 1 12710.57 12418.02 113.03 o
-2 -3 1 21058.17 19378.24 219.85 o
-1 -3 1 1466.50 1442.73 43.28 o
0 -3 1 135.00 207.37 26.30 o
1 -3 1 1417.64 1373.59 20.17 o
2 -3 1 18657.14 16788.34 432.59 o
3 -3 1 33602.21 31714.35 338.46 o
4 -3 1 3225.13 3077.97 35.82 o
5 -3 1 1552.30 1517.45 62.49 o
6 -3 1 8140.63 8229.04 203.33 o
7 -3 1 6765.13 6419.70 91.75 o
8 -3 1 2583.94 2534.03 70.60 o
9 -3 1 817.72 791.84 102.33 o
10 -3 1 705.05 703.65 84.56 o
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-1 -2 1 1015.81 929.37 31.88 o
0 -2 1 619.94 542.01 29.98 o
1 -2 1 952.96 882.36 21.34 o
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3 -2 1 497.30 459.14 36.07 o
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5 -2 1 8084.54 7875.22 202.58 o
6 -2 1 2993.46 2785.06 37.47 o
7 -2 1 984.65 947.84 25.97 o
8 -2 1 549.45 545.20 26.32 o
9 -2 1 1529.91 1461.19 112.94 o
10 -2 1 559.37 548.87 25.36 o
-10 -1 1 1932.63 1833.27 29.77 o
-9 -1 1 4996.45 4957.82 34.35 o
-8 -1 1 795.40 840.69 80.64 o
-7 -1 1 2171.62 2124.63 27.14 o
-6 -1 1 11854.59 11268.58 241.00 o
-5 -1 1 7632.15 7315.05 204.51 o
-4 -1 1 10019.53 9856.05 383.18 o
-3 -1 1 1117.47 1062.84 49.41 o
-2 -1 1 8978.87 8199.77 62.29 o
-1 -1 1 41947.73 36089.19 217.14 o
0 -1 1 29118.25 28503.23 193.73 o
1 -1 1 417.81 392.06 20.89 o
2 -1 1 2129.71 2154.22 42.18 o
3 -1 1 6337.65 6105.14 53.95 o
4 -1 1 10776.04 10723.80 215.09 o
5 -1 1 14341.57 13257.06 525.53 o
6 -1 1 457.11 500.13 31.50 o
7 -1 1 2932.69 3006.14 108.45 o
8 -1 1 7602.18 7764.02 343.57 o
9 -1 1 1201.63 1208.77 64.54 o
10 -1 1 253.05 243.33 23.08 o
11 -1 1 33.59 62.38 43.62 o
-10 0 1 201.46 202.08 27.78 o
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-8 0 1 128.50 187.41 26.60 o
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