#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2206800.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_2206800_Fobs
loop_
_publ_author_name
'Lah, Nina'
'Leban, Ivan'
_publ_section_title
;
 <i>catena</i>-Poly[[[bis(3-aminopyridine-\k<i>N</i>)copper(II)]-di-\m-chloro]
 hydrate]
;
_journal_coeditor_code           TK6244
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1708
_journal_page_last               m1710
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   33.9602
_cell_length_b                   33.9602
_cell_length_c                   3.9152
_exptl_crystal_F_000             1539.00
_reflns_d_resolution_high        0.7700
_[local]_cod_data_source_file    tk6244Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' k144 in R-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            377.12
_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'
'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'
'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'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-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'
'-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'
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 2 0 142217.41 28.52 13.44 o
0 3 0 12655.48 -4.83 4.83 o
-2 4 0 111630.76 18.97 18.97 o
-4 5 0 12591.70 -19.15 19.15 o
-1 5 0 6258.44 179.50 32.61 o
-3 6 0 20799.91 35141.02 771.33 o
0 6 0 29224.21 22567.66 389.93 o
-5 7 0 22127.41 18897.29 330.83 o
-2 7 0 16325.16 30446.38 400.88 o
-7 8 0 8328.51 3679.13 63.11 o
-4 8 0 58173.60 105560.29 1751.39 o
-1 8 0 3576.16 2312.05 40.44 o
-6 9 0 35205.32 87958.91 1453.41 o
-3 9 0 21294.17 24819.13 307.10 o
0 9 0 19095.05 17718.45 248.26 o
-8 10 0 11847.27 25984.65 387.33 o
-5 10 0 8603.54 1822.69 44.78 o
-2 10 0 3162.99 2029.87 34.80 o
-10 11 0 13902.94 19346.71 297.09 o
-4 11 0 3233.27 5184.07 74.88 o
-1 11 0 396.88 259.92 14.64 o
-9 12 0 40560.10 33650.56 495.02 o
-6 12 0 584.85 2242.39 39.10 o
-3 12 0 49.69 99.06 13.07 o
0 12 0 29029.10 27962.27 421.00 o
-11 13 0 85660.97 117839.74 1637.92 o
-8 13 0 1302.48 3437.47 55.66 o
-5 13 0 257.50 230.39 29.98 o
-2 13 0 18884.91 23250.77 265.05 o
-13 14 0 92.11 263.57 32.67 o
-10 14 0 107129.36 162910.91 2646.20 o
-7 14 0 26093.39 27800.06 358.02 o
-4 14 0 18745.79 16987.18 219.39 o
-1 14 0 361.72 154.71 54.53 o
-12 15 0 4932.83 3797.65 67.43 o
-9 15 0 1615.84 1654.85 101.55 o
-6 15 0 1621.79 2055.87 46.66 o
-3 15 0 2139.71 1750.61 32.89 o
0 15 0 43332.66 52005.63 698.98 o
-14 16 0 50571.17 59111.77 840.70 o
-11 16 0 61914.82 87953.08 1160.30 o
-8 16 0 33224.98 33004.30 402.21 o
-5 16 0 11363.61 12827.17 172.37 o
-2 16 0 39860.45 47846.01 572.82 o
-16 17 0 18059.07 15629.88 247.27 o
-13 17 0 6731.70 8357.97 204.61 o
-10 17 0 87.26 20.79 18.91 o
-7 17 0 3166.16 3553.82 55.95 o
-4 17 0 9604.44 9441.23 138.02 o
-1 17 0 100.47 478.13 18.12 o
-15 18 0 3273.10 2149.72 118.61 o
-12 18 0 53093.86 54350.78 780.63 o
-9 18 0 22650.66 26249.51 341.53 o
-6 18 0 15232.40 19581.23 330.28 o
-3 18 0 8339.60 7245.47 106.82 o
0 18 0 69969.64 97010.81 1323.70 o
-17 19 0 3013.73 1481.48 42.49 o
-14 19 0 1939.80 1294.09 98.75 o
-11 19 0 100.47 67.39 57.17 o
-8 19 0 16104.18 13286.47 174.42 o
-5 19 0 1977.67 2784.29 52.27 o
-2 19 0 7964.22 6562.16 131.79 o
-19 20 0 9169.85 8779.13 149.20 o
-16 20 0 36025.96 40026.09 718.26 o
-13 20 0 2182.28 2269.84 52.40 o
-10 20 0 35449.97 44391.29 596.20 o
-7 20 0 7273.07 4745.62 87.24 o
-4 20 0 11804.79 11522.60 181.22 o
-1 20 0 13941.24 14917.33 245.01 o
-18 21 0 1997.03 1129.20 38.69 o
-15 21 0 15401.80 15781.62 259.19 o
-12 21 0 27703.92 32110.19 439.16 o
-9 21 0 831.59 1744.13 35.34 o
-6 21 0 1594.12 999.57 38.03 o
-3 21 0 17.57 -12.37 20.91 o
0 21 0 1601.16 1679.92 101.23 o
-20 22 0 33768.70 37777.80 688.47 o
-17 22 0 6600.12 5900.64 309.01 o
-14 22 0 56138.16 68002.09 1937.70 o
-11 22 0 313.76 111.64 46.32 o
-8 22 0 19519.40 21796.16 372.80 o
-5 22 0 9108.93 9887.46 171.25 o
-2 22 0 10000.57 9814.46 213.64 o
-22 23 0 1451.86 1665.90 52.05 o
-19 23 0 4815.25 5230.53 121.64 o
-16 23 0 2451.04 1855.17 60.38 o
-13 23 0 5548.73 5444.24 130.38 o
-10 23 0 8615.60 8133.94 243.84 o
-7 23 0 4467.74 4713.98 116.05 o
-4 23 0 3400.87 2802.19 64.13 o
-1 23 0 9341.44 10828.63 355.64 o
-21 24 0 15714.69 16898.40 339.45 o
-18 24 0 38110.92 41545.09 815.09 o
-15 24 0 150.07 114.36 27.23 o
-12 24 0 11026.82 11827.47 239.81 o
-9 24 0 2428.00 2245.05 134.43 o
-6 24 0 20915.65 22796.45 565.77 o
-3 24 0 8832.98 8801.79 190.20 o
0 24 0 9590.40 9552.13 394.50 o
-23 25 0 24.41 26.07 59.88 o
-20 25 0 274.96 223.35 32.69 o
-17 25 0 11750.94 11406.24 287.84 o
-14 25 0 3111.53 3238.17 76.97 o
-11 25 0 6659.93 7059.78 250.18 o
-8 25 0 3466.80 3559.48 112.81 o
-5 25 0 7277.72 6519.69 150.94 o
-2 25 0 9548.04 10354.21 253.87 o
-25 26 0 4536.43 4825.48 275.59 o
-22 26 0 11419.59 11723.41 253.02 o
-19 26 0 3429.76 3448.20 109.99 o
-16 26 0 13465.47 14026.03 345.69 o
-13 26 0 11352.51 11966.63 276.07 o
-10 26 0 6216.06 5877.74 163.65 o
-7 26 0 5431.21 5454.05 127.62 o
-4 26 0 2145.28 2743.48 117.76 o
-1 26 0 4100.00 4416.79 113.30 o
-24 27 0 631.21 871.92 42.63 o
-21 27 0 5482.48 5434.99 154.81 o
-18 27 0 3.73 -32.66 32.66 o
-15 27 0 14134.89 14371.71 328.95 o
-12 27 0 15870.12 16202.79 352.96 o
-9 27 0 54.44 -26.13 26.13 o
-6 27 0 4810.96 6161.91 157.45 o
-3 27 0 5789.67 5371.12 131.98 o
0 27 0 308.32 218.74 117.12 o
-26 28 0 765.54 964.09 109.08 o
-23 28 0 3742.88 3662.42 120.98 o
-20 28 0 10788.87 11676.93 302.86 o
-17 28 0 3710.82 4120.67 110.03 o
-14 28 0 11533.31 12559.51 264.35 o
-11 28 0 6742.57 6692.01 153.34 o
-8 28 0 636.84 671.54 40.90 o
-5 28 0 278.79 114.39 38.52 o
-2 28 0 3975.60 4052.14 294.27 o
-28 29 0 187.18 100.35 108.91 o
-25 29 0 610.60 568.60 248.05 o
-22 29 0 497.25 528.68 54.50 o
-19 29 0 7363.10 8009.36 216.62 o
-16 29 0 6043.51 6139.07 138.39 o
-13 29 0 8550.12 8516.64 206.23 o
-10 29 0 1088.27 1299.02 101.00 o
-7 29 0 15.59 -51.17 70.76 o
-4 29 0 21.63 68.20 81.65 o
-1 29 0 31.40 73.64 130.64 o
-27 30 0 866.20 689.31 155.46 o
-24 30 0 4757.13 5130.32 176.34 o
-21 30 0 1306.47 1463.83 81.93 o
-18 30 0 2875.91 3104.92 104.23 o
-15 30 0 2923.87 3187.77 93.27 o
-12 30 0 1397.55 1551.70 81.96 o
-9 30 0 3007.97 3329.82 109.74 o
-6 30 0 4251.59 4423.60 168.85 o
-3 30 0 843.59 854.20 139.09 o
0 30 0 1308.89 1088.27 78.63 o
-29 31 0 5463.12 5771.70 192.86 o
-26 31 0 1205.28 1392.16 226.57 o
-23 31 0 2477.76 2497.88 104.08 o
-20 31 0 289.11 266.91 59.92 o
-17 31 0 1113.85 1080.90 70.97 o
-14 31 0 47.90 130.65 65.32 o
-11 31 0 2192.25 2129.56 104.01 o
-8 31 0 5446.00 5905.07 173.86 o
-5 31 0 845.71 910.90 125.45 o
-2 31 0 1120.76 858.06 72.66 o
-31 32 0 667.77 650.87 92.97 o
-28 32 0 10131.96 11086.61 337.29 o
-25 32 0 2975.91 3300.91 120.63 o
-22 32 0 3175.88 3237.30 120.71 o
-19 32 0 57.75 103.43 54.44 o
-16 32 0 2342.82 2497.09 120.47 o
-13 32 0 49.46 59.88 43.55 o
-10 32 0 46759.05 55129.31 1333.09 o
-7 32 0 60.51 70.77 54.44 o
-4 32 0 3150.58 3424.12 160.71 o
-1 32 0 538.94 672.90 82.78 o
-30 33 0 303.60 434.84 117.10 o
-27 33 0 12431.83 12042.80 404.65 o
-24 33 0 2144.40 2281.68 103.96 o
-21 33 0 75.79 152.43 54.44 o
-18 33 0 1251.32 1266.75 81.90 o
-15 33 0 1347.85 955.76 81.92 o
-12 33 0 3070.26 2747.87 120.66 o
-9 33 0 7810.38 8159.53 244.06 o
-6 33 0 658.47 703.24 98.13 o
-3 33 0 393.17 560.62 82.76 o
0 33 0 1912.43 1972.87 160.19 o
-32 34 0 4213.62 4225.84 211.22 o
-29 34 0 52.08 165.15 138.81 o
-26 34 0 8531.31 8578.73 294.29 o
-23 34 0 8740.93 7775.01 255.65 o
-20 34 0 1703.26 1738.09 103.85 o
-17 34 0 570.29 534.16 65.41 o
-14 34 0 9058.07 10503.31 300.41 o
-11 34 0 4501.19 4594.36 170.57 o
-8 34 0 18620.55 19997.78 573.64 o
-5 34 0 922.77 987.27 120.00 o
-2 34 0 2296.70 2629.35 161.39 o
-34 35 0 1973.93 2092.05 148.28 o
-31 35 0 3139.88 3124.79 175.11 o
-28 35 0 760.64 717.53 103.10 o
-25 35 0 457.84 506.73 65.39 o
-22 35 0 7.30 27.21 54.43 o
-19 35 0 253.04 190.62 65.35 o
-16 35 0 1006.95 1025.75 76.39 o
-13 35 0 2996.87 3042.41 137.05 o
-10 35 0 2027.04 2094.56 109.38 o
-7 35 0 1264.22 1774.09 114.63 o
-4 35 0 3022.55 2959.02 164.39 o
-1 35 0 651.43 629.54 267.08 o
-33 36 0 74.94 46.90 280.35 o
-30 36 0 7002.46 8116.93 649.45 o
-27 36 0 3464.36 3680.21 403.21 o
-24 36 0 8044.74 8465.37 343.71 o
-21 36 0 1442.73 1447.25 98.30 o
-18 36 0 4347.99 3969.90 170.45 o
-15 36 0 180.79 65.34 59.90 o
-12 36 0 24001.83 28039.30 866.54 o
-9 36 0 1291.26 1271.93 103.72 o
-6 36 0 7056.94 7407.41 248.76 o
-3 36 0 42.10 -54.43 76.21 o
0 36 0 755.90 697.93 141.74 o
-35 37 0 435.49 247.53 185.23 o
-32 37 0 1232.05 899.17 133.71 o
-29 37 0 2939.50 3147.28 531.39 o
-26 37 0 324.54 359.49 119.83 o
-23 37 0 95.40 234.09 65.33 o
-20 37 0 914.93 927.24 81.82 o
-17 37 0 335.81 196.10 76.26 o
-14 37 0 1980.03 2083.12 120.29 o
-11 37 0 2344.66 2402.04 131.32 o
-8 37 0 3943.19 4090.20 186.67 o
-5 37 0 6.37 -70.76 70.76 o
-2 37 0 221.27 92.57 98.02 o
-37 38 0 22.77 223.17 125.19 o
-34 38 0 7303.25 7195.32 362.27 o
-31 38 0 792.24 734.81 218.09 o
-28 38 0 7303.21 7619.52 420.23 o
-25 38 0 2785.85 2519.22 208.11 o
-22 38 0 1343.02 1162.83 92.81 o
-19 38 0 2537.41 2457.82 125.90 o
-16 38 0 7730.08 8493.41 282.38 o
-13 38 0 803.69 703.39 98.15 o
-10 38 0 15003.72 17307.11 573.16 o
-7 38 0 135.71 245.00 87.11 o
-4 38 0 32.54 -38.10 87.09 o
-1 38 0 213.06 261.37 98.01 o
-36 39 0 1422.38 1610.29 240.18 o
-33 39 0 1798.93 1628.08 127.31 o
-30 39 0 29.48 162.33 112.75 o
-27 39 0 109.94 168.77 119.77 o
-24 39 0 1560.31 1359.91 185.69 o
-21 39 0 1448.17 1173.96 87.36 o
-18 39 0 3.12 43.54 65.32 o
-15 39 0 2859.60 3105.43 142.40 o
-12 39 0 2159.37 2231.08 114.83 o
-9 39 0 2276.07 2286.14 142.20 o
-6 39 0 344.66 179.74 81.70 o
-3 39 0 26.92 43.55 87.09 o
-35 40 0 364.39 446.65 157.96 o
-32 40 0 10828.18 11248.74 498.99 o
-29 40 0 1106.51 1378.52 223.68 o
-26 40 0 5480.41 6073.59 379.94 o
-23 40 0 408.82 326.86 98.06 o
-20 40 0 401.77 484.84 103.50 o
-17 40 0 1570.74 1392.64 103.77 o
-14 40 0 10467.21 10988.14 439.53 o
-11 40 0 25.08 97.98 81.65 o
-8 40 0 1931.77 2306.08 147.55 o
-5 40 0 23.39 -92.53 92.53 o
-34 41 0 987.92 1205.28 158.16 o
-31 41 0 2848.71 2377.16 542.00 o
-28 41 0 1460.63 1281.17 135.00 o
-25 41 0 6.83 136.07 168.73 o
-22 41 0 511.28 544.88 168.91 o
-19 41 0 6.19 103.42 76.20 o
-16 41 0 3.08 -70.76 70.76 o
-13 41 0 3703.25 3691.31 191.97 o
-10 41 0 453.50 512.11 92.62 o
-7 41 0 887.08 447.12 103.60 o
-30 42 0 7135.11 7541.20 494.18 o
-27 42 0 9.03 -163.29 163.29 o
-24 42 0 1038.63 981.83 152.73 o
-21 42 0 99.25 283.09 146.99 o
-18 42 0 1176.09 960.29 109.12 o
-15 42 0 211.63 70.79 76.23 o
-12 42 0 2122.44 1913.24 131.19 o
-29 43 0 1260.39 1271.95 166.43 o
-26 43 0 1453.61 1490.30 174.69 o
-23 43 0 7.05 -114.30 266.70 o
-20 43 0 118.40 27.22 119.77 o
-17 43 0 509.50 337.81 103.52 o
-14 43 0 43.16 81.65 119.75 o
-22 44 0 77.06 0.00 146.98 o
-1 1 1 9266.45 3681.57 45.74 o
-3 2 1 1344.19 544.14 115.61 o
0 2 1 83882.91 139139.31 1494.57 o
-5 3 1 95743.39 184353.06 2471.50 o
-2 3 1 52471.48 72681.19 721.40 o
1 3 1 17415.46 12640.78 268.55 o
-7 4 1 1472.41 195.47 13.20 o
-4 4 1 55928.03 55399.22 553.07 o
-1 4 1 29577.13 48106.88 524.27 o
2 4 1 45797.23 40129.71 533.28 o
-9 5 1 50225.75 67657.42 912.46 o
-6 5 1 52695.13 95857.04 1152.03 o
-3 5 1 72757.38 90840.59 1015.74 o
0 5 1 51123.26 87905.26 956.84 o
3 5 1 1807.70 2131.04 30.44 o
-11 6 1 3081.98 1866.22 31.32 o
-8 6 1 118964.98 170815.23 2184.79 o
-5 6 1 51959.81 76804.19 926.85 o
-2 6 1 4247.89 9457.22 110.92 o
1 6 1 1411.05 2442.77 34.97 o
4 6 1 113997.55 184502.22 2269.50 o
-13 7 1 7411.33 6024.54 84.09 o
-10 7 1 19975.48 25293.34 308.67 o
-7 7 1 9379.49 7803.87 99.48 o
-4 7 1 326.40 261.98 15.43 o
-1 7 1 33630.21 32254.06 375.31 o
2 7 1 16571.78 15933.21 253.96 o
5 7 1 13476.57 9818.18 154.32 o
-15 8 1 3725.00 2819.04 52.59 o
-12 8 1 110863.98 162875.72 2029.14 o
-9 8 1 5682.44 7857.24 112.09 o
-6 8 1 36637.67 44936.31 519.19 o
-3 8 1 7918.26 9603.21 125.47 o
0 8 1 9849.82 8413.67 106.67 o
3 8 1 32250.81 29241.20 396.59 o
6 8 1 52194.17 61946.58 683.31 o
-17 9 1 229.86 326.16 43.59 o
-14 9 1 22892.56 25993.50 353.44 o
-11 9 1 40692.45 51661.13 647.62 o
-8 9 1 47105.30 54930.32 695.77 o
-5 9 1 9057.00 12903.72 167.74 o
-2 9 1 5217.33 7778.80 207.79 o
1 9 1 2735.43 4018.03 60.48 o
4 9 1 356.29 160.71 19.08 o
7 9 1 46256.47 62248.77 688.62 o
-19 10 1 18463.40 21038.43 309.82 o
-16 10 1 56499.27 64686.09 1036.96 o
-13 10 1 2083.67 2562.45 42.77 o
-10 10 1 79746.36 98102.47 1279.65 o
-7 10 1 86.05 26.02 27.23 o
-4 10 1 5084.04 4625.08 67.39 o
-1 10 1 35403.06 43827.91 560.47 o
2 10 1 38129.59 47280.60 687.21 o
5 10 1 13.80 23.13 14.00 o
8 10 1 40770.82 41240.92 534.18 o
-21 11 1 12492.21 12307.87 241.41 o
-18 11 1 387.43 231.27 106.30 o
-15 11 1 4448.88 4985.29 78.68 o
-12 11 1 2720.39 3050.97 47.72 o
-9 11 1 1897.50 1243.82 34.35 o
-6 11 1 21230.09 20634.29 321.49 o
-3 11 1 973.70 569.46 23.20 o
0 11 1 5114.00 5351.44 72.99 o
3 11 1 16674.38 19053.53 252.32 o
6 11 1 3887.51 2746.92 50.39 o
9 11 1 15780.26 17631.23 239.07 o
-23 12 1 4804.16 4713.99 246.03 o
-20 12 1 14103.38 14656.97 221.70 o
-17 12 1 19610.84 22559.68 316.92 o
-14 12 1 85404.08 102626.34 1372.78 o
-11 12 1 34.86 -15.64 15.64 o
-8 12 1 28668.57 35858.79 501.97 o
-5 12 1 114.02 40.85 29.95 o
-2 12 1 4706.93 2899.39 49.14 o
1 12 1 10421.57 11520.36 156.72 o
4 12 1 10524.08 8402.64 112.29 o
7 12 1 822.36 335.99 76.44 o
10 12 1 9443.04 10327.92 174.13 o
-25 13 1 1136.42 1443.20 169.32 o
-22 13 1 11555.54 11917.80 195.07 o
-19 13 1 507.75 389.74 100.89 o
-16 13 1 111.47 331.32 32.67 o
-13 13 1 42855.16 59183.86 1026.32 o
-10 13 1 12145.40 12795.81 172.53 o
-7 13 1 3049.26 2519.15 138.17 o
-4 13 1 998.84 2080.96 40.48 o
-1 13 1 22177.67 26787.70 342.27 o
2 13 1 117.02 227.60 23.10 o
5 13 1 8052.65 10403.39 157.26 o
8 13 1 4534.77 4001.26 171.42 o
11 13 1 3551.04 3752.60 74.76 o
-27 14 1 12.59 122.09 179.62 o
-24 14 1 15492.36 14696.51 288.13 o
-21 14 1 10032.12 10135.40 154.27 o
-18 14 1 20315.70 22754.62 506.56 o
-15 14 1 3859.85 4907.56 97.44 o
-12 14 1 22147.67 20373.04 332.24 o
-9 14 1 5.89 20.78 20.91 o
-6 14 1 13488.58 10343.93 159.45 o
-3 14 1 4438.16 3160.79 54.57 o
0 14 1 40062.20 45163.93 609.01 o
3 14 1 259.77 218.26 54.49 o
6 14 1 689.09 675.71 30.09 o
9 14 1 1623.36 2296.27 161.42 o
12 14 1 10155.25 10901.63 215.10 o
-29 15 1 661.74 594.35 36.76 o
-26 15 1 25.47 24.49 25.82 o
-23 15 1 241.54 242.44 40.85 o
-20 15 1 3263.47 3447.22 67.87 o
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