#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211539.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_2211539_Fobs
loop_
_publ_author_name
'Zhang, Xian-Fa'
'Gao, Shan'
'Huo, Li-Hua'
'Zhao, Hui'
_publ_section_title
;
A three-dimensional porous cadmium(II) coordination polymer:
poly[[(pyridine-\kN)cadmium(II)]-\m~3~-imidazole-4,5-dicarboxylato-\k^6^N,O:N',O':O',O'']
;
_journal_coeditor_code NG2143
_journal_issue 12
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m3233
_journal_page_last m3235
_journal_volume 62
_journal_year 2006
_space_group_IT_number 161
_symmetry_space_group_name_Hall 'R 3 -2"c'
_symmetry_space_group_name_H-M 'R 3 c :H'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 120.000
_cell_length_a 21.1116
_cell_length_b 21.1116
_cell_length_c 13.9527
_exptl_crystal_F_000 3024.00
_reflns_d_resolution_high 0.7706
_[local]_cod_data_source_file ng2143Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' g in R3c'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 730.13
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+5/6'
'-x+y+2/3, y+1/3, z+5/6'
'x+2/3, x-y+1/3, z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'
'x+1/3, x-y+2/3, z+7/6'
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
0 0 -18 8582.29 8898.08 380.84 o
-1 2 -18 1056.15 1344.94 109.45 o
-2 3 -17 3904.18 4219.63 143.97 o
-1 4 -17 53.57 57.07 37.10 o
-3 5 -17 4794.51 4830.50 71.33 o
-5 6 -17 5006.00 4853.66 90.66 o
-2 6 -17 49.89 33.56 34.06 o
-4 7 -17 26.81 13.84 34.18 o
-1 7 -17 4006.73 4120.57 91.05 o
-6 8 -17 313.71 328.49 56.22 o
-3 8 -17 104.56 82.07 49.83 o
-5 9 -17 124.57 147.59 46.54 o
0 1 -16 1465.67 1471.75 54.98 o
-2 2 -16 1712.08 1717.80 48.91 o
-1 3 -16 1989.35 1985.55 48.57 o
-3 4 -16 3008.38 2930.56 40.97 o
0 4 -16 17416.64 16688.14 201.11 o
-5 5 -16 1471.53 1457.50 62.56 o
-2 5 -16 2288.99 2360.09 76.87 o
-4 6 -16 2405.07 2384.59 64.00 o
-1 6 -16 1303.15 1513.15 58.43 o
-6 7 -16 2049.82 2123.11 57.06 o
-3 7 -16 3035.53 3048.64 65.52 o
0 7 -16 3278.02 3777.17 202.60 o
-8 8 -16 12502.85 12141.71 279.54 o
-5 8 -16 929.79 998.09 43.50 o
-2 8 -16 2701.70 2837.84 71.43 o
-7 9 -16 337.31 341.82 48.25 o
-4 9 -16 40.36 115.03 42.80 o
-1 9 -16 800.38 1026.44 79.90 o
-9 10 -16 2294.84 2205.46 74.14 o
-6 10 -16 2247.04 2207.50 61.48 o
-3 10 -16 246.51 274.34 71.36 o
0 10 -16 525.17 673.82 140.48 o
-11 11 -16 3533.81 3404.20 140.89 o
-8 11 -16 3354.50 3312.80 94.97 o
-5 11 -16 195.35 136.14 68.68 o
-2 11 -16 943.35 1268.10 110.33 o
-7 12 -16 1173.46 1313.93 59.38 o
-4 12 -16 8643.98 9165.15 161.19 o
-1 2 -15 7368.92 7310.50 77.23 o
-2 4 -15 167.46 142.07 25.79 o
-4 5 -15 25.55 38.21 23.61 o
-1 5 -15 172.28 184.42 23.17 o
-3 6 -15 9944.34 9788.88 80.01 o
-5 7 -15 8849.35 8750.91 78.42 o
-2 7 -15 8271.39 7980.91 72.78 o
-7 8 -15 227.11 212.63 36.18 o
-4 8 -15 31.69 72.61 30.05 o
-1 8 -15 69.83 94.09 40.51 o
-6 9 -15 7242.25 7270.69 88.06 o
-3 9 -15 10295.96 10288.36 102.26 o
-8 10 -15 678.49 616.44 49.65 o
-5 10 -15 9113.08 9132.56 96.14 o
-2 10 -15 543.30 493.97 61.57 o
-10 11 -15 2720.86 2983.34 89.84 o
-7 11 -15 207.41 208.70 45.30 o
-4 11 -15 467.73 502.10 45.66 o
-1 11 -15 5180.64 5418.71 118.28 o
-9 12 -15 313.12 231.22 54.36 o
-6 12 -15 989.57 1080.66 95.99 o
-3 12 -15 538.37 501.88 78.04 o
-11 13 -15 6605.07 6854.16 126.54 o
-8 13 -15 709.62 779.24 65.06 o
-5 13 -15 102.74 48.80 66.87 o
-2 13 -15 4171.09 4409.98 184.24 o
-10 14 -15 115.02 122.78 61.12 o
-7 14 -15 3834.81 3929.28 106.19 o
-4 14 -15 361.47 224.93 89.63 o
-9 15 -15 5351.73 5202.74 127.26 o
-6 15 -15 2420.52 2484.15 127.90 o
-1 1 -14 3210.78 3190.34 38.88 o
0 2 -14 5486.37 5375.80 63.27 o
-2 3 -14 1721.51 1667.75 36.29 o
-4 4 -14 35146.47 35088.90 299.67 o
-1 4 -14 4990.64 4797.09 34.30 o
-3 5 -14 9212.48 9414.31 81.12 o
0 5 -14 4829.54 4644.93 59.49 o
-5 6 -14 3919.39 4063.16 54.89 o
-2 6 -14 3639.25 3503.06 43.66 o
-7 7 -14 3182.84 3338.74 83.09 o
-4 7 -14 7126.37 7279.41 71.11 o
-1 7 -14 1385.93 1433.85 32.26 o
-6 8 -14 1637.69 1763.72 48.37 o
-3 8 -14 3309.46 3258.60 49.51 o
0 8 -14 21929.07 21719.53 222.68 o
-8 9 -14 2551.68 2482.40 64.97 o
-5 9 -14 179.76 139.86 37.25 o
-2 9 -14 5930.16 5972.75 92.81 o
-10 10 -14 2183.92 2164.95 112.87 o
-7 10 -14 1272.48 1357.19 58.69 o
-4 10 -14 1380.03 1273.34 56.13 o
-1 10 -14 1783.53 1831.84 62.85 o
-9 11 -14 2876.64 2911.56 66.67 o
-6 11 -14 2553.24 2521.20 66.04 o
-3 11 -14 4585.59 4766.57 88.59 o
0 11 -14 5012.14 5210.78 163.33 o
-11 12 -14 4379.74 4128.50 126.24 o
-8 12 -14 17373.46 17427.41 177.61 o
-5 12 -14 1832.23 2007.91 61.40 o
-2 12 -14 2897.64 2919.40 113.22 o
-13 13 -14 112.82 49.61 121.60 o
-10 13 -14 1931.54 1913.15 81.91 o
-7 13 -14 2413.22 2561.88 76.23 o
-4 13 -14 1694.75 1677.64 62.94 o
-1 13 -14 472.44 580.10 94.78 o
-12 14 -14 2140.39 2362.68 123.92 o
-9 14 -14 3000.10 3144.23 100.02 o
-6 14 -14 2957.75 2996.53 80.42 o
-3 14 -14 393.61 362.10 61.98 o
0 14 -14 555.10 580.87 154.83 o
-14 15 -14 663.27 815.96 104.97 o
-11 15 -14 4687.25 4688.06 118.30 o
-8 15 -14 7174.46 7059.82 131.47 o
-5 15 -14 305.43 307.63 60.73 o
-2 15 -14 3891.25 4297.23 186.21 o
-13 16 -14 278.43 207.42 91.05 o
-10 16 -14 2803.59 2733.12 89.21 o
-7 16 -14 1055.13 1036.26 83.63 o
-4 16 -14 10714.49 11192.68 257.19 o
-9 17 -14 97.91 128.87 69.43 o
-6 17 -14 2029.90 2044.55 82.18 o
-1 3 -13 20928.35 20164.39 91.65 o
-3 4 -13 1918.12 1906.55 48.25 o
-2 5 -13 23365.83 22882.09 117.01 o
-4 6 -13 976.00 1008.14 35.49 o
-1 6 -13 24365.75 23649.56 114.07 o
-6 7 -13 5355.71 5518.30 61.84 o
-3 7 -13 348.97 379.21 34.28 o
-5 8 -13 2503.26 2329.75 69.49 o
-2 8 -13 1172.15 1116.64 30.32 o
-7 9 -13 14062.28 13734.54 127.21 o
-4 9 -13 1380.88 1382.08 54.35 o
-1 9 -13 1379.35 1333.51 46.75 o
-9 10 -13 14306.51 14538.04 154.32 o
-6 10 -13 517.01 581.24 43.84 o
-3 10 -13 12268.92 12436.72 123.58 o
-8 11 -13 703.76 699.43 44.19 o
-5 11 -13 14680.18 14601.70 131.70 o
-2 11 -13 6652.31 6588.14 111.14 o
-10 12 -13 417.26 390.94 57.17 o
-7 12 -13 1249.15 1337.65 55.62 o
-4 12 -13 711.26 794.14 70.38 o
-1 12 -13 23.27 52.02 26.35 o
-12 13 -13 179.74 175.83 54.92 o
-9 13 -13 321.84 280.96 46.57 o
-6 13 -13 12271.53 12323.54 125.50 o
-3 13 -13 16365.26 16381.28 181.97 o
-11 14 -13 5529.24 5717.97 113.71 o
-8 14 -13 823.28 866.77 49.98 o
-5 14 -13 15677.45 15726.71 346.15 o
-2 14 -13 977.71 1147.87 83.58 o
-13 15 -13 6979.72 6958.22 170.86 o
-10 15 -13 4097.06 4268.51 94.64 o
-7 15 -13 20.89 -52.17 52.17 o
-4 15 -13 101.51 98.37 49.43 o
-1 15 -13 5749.27 6475.68 206.49 o
-15 16 -13 1276.39 1512.26 107.40 o
-12 16 -13 97.61 211.21 76.27 o
-9 16 -13 823.83 954.52 74.32 o
-6 16 -13 1841.91 1818.63 74.07 o
-3 16 -13 2057.99 2219.37 75.41 o
-14 17 -13 7236.42 7267.26 158.87 o
-11 17 -13 6205.38 6209.43 132.93 o
-8 17 -13 144.29 89.82 63.75 o
-5 17 -13 1008.85 1219.25 71.38 o
-2 17 -13 3680.09 4220.79 135.22 o
-13 18 -13 9200.86 9599.18 188.19 o
-10 18 -13 485.51 531.55 74.42 o
-7 18 -13 3179.30 3410.35 107.29 o
-4 18 -13 160.51 138.96 70.43 o
-9 19 -13 3089.85 3082.12 111.61 o
0 0 -12 56121.09 56149.16 602.62 o
-1 2 -12 7407.23 7355.15 42.50 o
-3 3 -12 7607.86 7344.54 100.50 o
0 3 -12 20805.96 20199.13 138.37 o
-2 4 -12 7651.59 7495.93 48.25 o
-4 5 -12 6446.98 6525.12 69.56 o
-1 5 -12 4242.22 4153.72 34.00 o
-6 6 -12 6340.55 6111.44 89.29 o
-3 6 -12 10711.36 10848.33 89.52 o
0 6 -12 9472.17 9416.50 83.46 o
-5 7 -12 1226.67 1305.67 39.96 o
-2 7 -12 2042.42 1921.51 33.78 o
-7 8 -12 4007.25 4107.25 77.07 o
-4 8 -12 38808.53 38385.53 252.13 o
-1 8 -12 6192.08 6355.85 55.62 o
-9 9 -12 5001.61 5202.68 153.13 o
-6 9 -12 10031.71 10100.93 144.75 o
-3 9 -12 6764.32 6400.48 110.22 o
0 9 -12 5582.57 5462.17 84.23 o
-8 10 -12 2177.30 2536.28 71.81 o
-5 10 -12 12081.92 12071.52 124.95 o
-2 10 -12 5243.75 5278.27 53.53 o
-10 11 -12 3661.27 3719.39 88.66 o
-7 11 -12 12140.40 11638.54 129.02 o
-4 11 -12 11317.78 11211.84 112.31 o
-1 11 -12 2945.56 3064.97 47.08 o
-12 12 -12 34477.28 33224.62 458.86 o
-9 12 -12 3245.20 3293.54 76.20 o
-6 12 -12 4355.87 4314.17 71.08 o
-3 12 -12 3068.02 3156.43 57.69 o
0 12 -12 27410.13 27347.66 342.90 o
-11 13 -12 4906.06 4999.46 115.15 o
-8 13 -12 484.73 538.26 47.69 o
-5 13 -12 701.83 732.98 39.91 o
-2 13 -12 5086.34 5153.14 134.48 o
-13 14 -12 6056.91 6032.58 150.33 o
-10 14 -12 4610.45 4494.10 88.71 o
-7 14 -12 386.95 441.20 50.45 o
-4 14 -12 694.49 598.24 66.12 o
-1 14 -12 4121.71 3973.47 92.97 o
-15 15 -12 11441.34 11543.11 286.05 o
-12 15 -12 4973.94 4820.31 144.53 o
-9 15 -12 1614.23 1852.43 65.37 o
-6 15 -12 3223.69 3255.40 101.04 o
-3 15 -12 3496.72 3657.24 62.24 o
0 15 -12 9013.73 8966.17 324.93 o
-14 16 -12 1508.47 1691.39 120.28 o
-11 16 -12 4284.40 4235.40 91.02 o
-8 16 -12 21530.45 21221.04 223.83 o
-5 16 -12 3205.55 3270.91 83.38 o
-2 16 -12 2642.77 2756.90 76.73 o
-16 17 -12 92.75 133.20 70.02 o
-13 17 -12 296.24 377.49 88.83 o
-10 17 -12 7681.65 7697.89 140.37 o
-7 17 -12 3312.86 3314.07 135.71 o
-4 17 -12 1189.47 1230.74 98.45 o
-1 17 -12 198.50 191.69 53.84 o
-15 18 -12 171.21 261.20 86.05 o
-12 18 -12 621.59 547.76 80.74 o
-9 18 -12 2618.45 2768.51 98.83 o
-6 18 -12 2741.35 2883.69 138.89 o
-3 18 -12 233.27 283.24 61.54 o
-14 19 -12 1485.26 1723.30 106.34 o
-11 19 -12 5232.34 5553.12 134.06 o
-8 19 -12 6466.32 6654.41 165.82 o
-5 19 -12 559.49 777.01 75.09 o
-13 20 -12 171.89 110.67 70.57 o
-10 20 -12 2722.17 2965.36 100.63 o
-7 20 -12 632.30 645.40 80.60 o
-2 3 -11 35254.46 35084.00 158.39 o
-1 4 -11 2909.11 3009.72 29.25 o
-3 5 -11 39670.35 39705.08 245.38 o
-5 6 -11 55257.97 55198.71 342.19 o
-2 6 -11 2317.12 2267.10 36.66 o
-4 7 -11 5595.55 5381.23 59.52 o
-1 7 -11 27981.83 27600.63 150.18 o
-6 8 -11 7149.82 6747.41 88.91 o
-3 8 -11 4465.91 4206.46 51.14 o
-8 9 -11 787.44 878.56 53.94 o
-5 9 -11 4350.59 4561.90 79.51 o
-2 9 -11 16976.38 16958.28 123.95 o
-7 10 -11 18544.43 18351.73 162.50 o
-4 10 -11 41.26 38.38 18.68 o
-1 10 -11 29976.63 30155.22 197.54 o
-9 11 -11 12318.94 11994.52 142.22 o
-6 11 -11 21578.71 21567.11 184.05 o
-3 11 -11 2026.25 1810.34 60.85 o
-11 12 -11 215.10 232.66 59.37 o
-8 12 -11 390.02 469.54 54.01 o
-5 12 -11 259.38 235.19 23.94 o
-2 12 -11 992.13 1020.45 35.64 o
-10 13 -11 22566.30 21633.59 233.78 o
-7 13 -11 21947.26 21956.76 196.73 o
-4 13 -11 15.32 52.59 22.31 o
-1 13 -11 2585.53 2566.19 73.32 o
-12 14 -11 3674.80 3544.47 103.87 o
-9 14 -11 20780.47 20619.64 205.81 o
-6 14 -11 215.11 240.91 32.57 o
-3 14 -11 11311.96 11359.06 143.26 o
-14 15 -11 3514.53 3555.52 144.76 o
-11 15 -11 63.33 109.11 67.04 o
-8 15 -11 1073.53 1084.37 71.28 o
-5 15 -11 12842.36 12852.08 128.43 o
-2 15 -11 7566.91 7627.44 102.91 o
-13 16 -11 1505.66 1597.35 131.85 o
-10 16 -11 3768.03 3906.95 88.28 o
-7 16 -11 2557.47 2479.90 80.67 o
-4 16 -11 14.06 -15.29 24.98 o
-1 16 -11 1907.12 1882.17 102.51 o
-15 17 -11 9489.02 9406.58 193.54 o
-12 17 -11 785.15 890.86 91.71 o
-9 17 -11 1468.69 1445.94 81.88 o
-6 17 -11 8998.70 8801.22 218.05 o
-3 17 -11 14469.18 14526.15 224.19 o
-17 18 -11 11462.31 11820.18 205.48 o
-14 18 -11 118.11 124.22 79.28 o
-11 18 -11 5330.05 5415.75 132.19 o
-8 18 -11 1099.52 1224.44 80.04 o
-5 18 -11 16471.87 16791.37 333.24 o
-2 18 -11 3072.28 3065.22 66.63 o
-16 19 -11 415.99 355.47 93.98 o
-13 19 -11 7253.12 6977.85 148.98 o
-10 19 -11 4014.34 4175.61 105.77 o
-7 19 -11 690.63 721.47 75.30 o
-4 19 -11 283.62 225.54 93.76 o
-1 19 -11 4745.12 4857.05 111.93 o
-15 20 -11 802.72 720.25 113.35 o
-12 20 -11 336.99 232.14 73.95 o
-9 20 -11 979.30 972.44 90.02 o
-6 20 -11 1951.04 2523.33 123.36 o
-3 20 -11 1398.28 1535.10 176.30 o
-14 21 -11 6140.48 6175.42 152.91 o
-11 21 -11 9608.01 9915.30 175.00 o
-8 21 -11 930.42 1019.38 91.75 o
0 1 -10 16541.91 16180.62 104.49 o
-2 2 -10 23747.89 24533.52 158.31 o
-1 3 -10 12364.51 12380.04 64.03 o
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0 4 -10 91858.63 90818.91 648.80 o
-5 5 -10 5542.65 4979.88 143.75 o
-2 5 -10 10177.56 10032.15 53.95 o
-4 6 -10 8468.76 8705.89 74.22 o
-1 6 -10 6519.07 6653.07 50.43 o
-6 7 -10 9659.88 9491.17 102.96 o
-3 7 -10 19711.57 19431.24 106.63 o
0 7 -10 5533.40 5585.51 85.03 o
-8 8 -10 94926.30 92184.05 1156.73 o
-5 8 -10 11964.60 11831.41 108.34 o
-2 8 -10 6839.19 6963.33 50.52 o
-7 9 -10 10618.89 10422.56 124.16 o
-4 9 -10 5705.20 5486.66 89.59 o
-1 9 -10 2612.72 2703.00 45.26 o
-9 10 -10 11162.96 10656.94 144.00 o
-6 10 -10 15985.81 15315.48 140.07 o
-3 10 -10 4797.35 4777.13 43.76 o
0 10 -10 3920.92 4077.87 75.66 o
-11 11 -10 9854.50 9726.75 182.68 o
-8 11 -10 25984.50 24610.53 238.90 o
-5 11 -10 1317.49 1291.87 44.06 o
-2 11 -10 10822.43 10816.65 84.91 o
-10 12 -10 9458.39 9281.01 143.45 o
-7 12 -10 2999.53 3072.89 69.50 o
-4 12 -10 72406.48 73421.12 464.11 o
-1 12 -10 8172.89 8496.00 90.34 o
-12 13 -10 5021.00 4801.00 110.30 o
-9 13 -10 177.40 124.64 63.35 o
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0 13 -10 4795.97 4720.24 92.52 o
-14 14 -10 9353.30 8420.51 194.13 o
-11 14 -10 73.75 121.58 56.55 o
-8 14 -10 6355.05 6378.58 110.33 o
-5 14 -10 7009.23 6704.78 242.66 o
-2 14 -10 10333.95 10461.05 113.70 o
-13 15 -10 5942.38 5711.77 122.74 o
-10 15 -10 1200.89 1260.23 82.06 o
-7 15 -10 14882.46 14944.66 120.58 o
-4 15 -10 19505.36 19225.98 164.16 o
-1 15 -10 2150.35 2145.57 53.08 o
-15 16 -10 7448.22 7298.52 162.87 o
-12 16 -10 26587.96 26879.36 274.50 o
-9 16 -10 372.61 389.57 55.81 o
-6 16 -10 9478.45 9415.65 114.27 o
-3 16 -10 1271.57 1320.80 48.38 o
0 16 -10 23733.90 24142.69 365.42 o
-17 17 -10 215.05 242.45 125.24 o
-14 17 -10 5067.45 5144.63 151.38 o
-11 17 -10 2854.08 2869.31 100.86 o
-8 17 -10 2344.11 2342.73 64.75 o
-5 17 -10 152.19 159.68 37.81 o
-2 17 -10 2895.92 3121.74 75.98 o
-16 18 -10 3248.89 3250.75 146.39 o
-13 18 -10 5532.79 5622.90 139.67 o
-10 18 -10 6961.88 6682.05 135.71 o
-7 18 -10 1327.71 1373.26 95.52 o
-4 18 -10 461.78 521.02 52.85 o
-1 18 -10 4166.97 4663.32 92.35 o
-18 19 -10 345.04 330.49 87.97 o
-15 19 -10 7207.18 7119.33 189.17 o
-12 19 -10 9422.16 9143.54 154.35 o
-9 19 -10 1530.30 1488.22 87.47 o
-6 19 -10 2257.30 2333.40 84.78 o
-3 19 -10 5024.23 5067.00 117.84 o
0 19 -10 12215.22 12523.98 253.46 o
-17 20 -10 383.53 520.08 105.19 o
-14 20 -10 1763.17 1821.80 167.08 o
-11 20 -10 1669.51 1533.15 84.41 o
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0 13 14 113.68 237.03 107.98 o
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