#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:17:15 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180776 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/07/2010761.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_2010761_Fobs
loop_
_publ_author_name
'Su, Cheng-Yong'
'Yang, Xiao-Ping'
'Xu, An-Wu'
'Zhang, Ze-Fu'
'Liu, Hong-Ke'
'Kang, Bei-Sheng'
_publ_section_title
;
 Hexakis(antipyrine-<i>O</i>)terbium(III) triperchlorate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e82
_journal_page_last               e83
_journal_volume                  56
_journal_year                    2000
_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                   13.9691
_cell_length_b                   13.9691
_cell_length_c                   32.3898
_exptl_crystal_F_000             2436.00
_reflns_d_resolution_high        0.7690
_cod_data_source_file            qb0180Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 12 in R-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            623.35
_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 36785.00 47755.95 366.30 o
0 3 0 388567.16 391833.38 2398.14 o
-2 4 0 6216.22 4248.44 157.35 o
-4 5 0 20042.25 18513.16 190.58 o
-1 5 0 35945.35 32476.44 355.39 o
-3 6 0 88526.27 95895.95 1667.08 o
0 6 0 63880.88 62495.17 1152.83 o
-5 7 0 40266.88 40012.15 602.27 o
-2 7 0 50649.44 46499.13 1226.87 o
-7 8 0 32570.43 33760.66 398.64 o
-4 8 0 21869.63 19285.18 446.85 o
-1 8 0 12037.07 10300.00 405.15 o
-6 9 0 22282.89 22756.70 441.14 o
-3 9 0 16126.95 15989.61 369.92 o
0 9 0 14864.26 15161.63 412.86 o
-8 10 0 34315.64 34896.36 991.12 o
-5 10 0 25486.72 25637.59 496.94 o
-2 10 0 14251.42 14331.22 340.96 o
-10 11 0 24719.78 21177.45 847.05 o
-7 11 0 11039.17 11281.90 357.12 o
-4 11 0 14749.46 13838.17 386.78 o
-1 11 0 2642.58 2680.85 242.43 o
-9 12 0 2004.02 2466.01 218.18 o
-6 12 0 1884.65 2081.33 244.57 o
-3 12 0 5285.04 5292.28 212.59 o
0 12 0 1798.10 1684.20 345.52 o
-11 13 0 1743.29 1794.53 252.46 o
-8 13 0 4610.74 4575.39 271.15 o
-5 13 0 9960.77 9321.73 362.80 o
-2 13 0 7030.12 7436.76 350.62 o
-13 14 0 7859.18 6830.22 430.97 o
-10 14 0 5222.21 5381.29 384.92 o
-7 14 0 6305.84 5848.15 316.65 o
-4 14 0 5568.29 5634.53 316.35 o
-1 14 0 878.95 1341.71 253.98 o
-12 15 0 1684.53 1620.58 264.63 o
-9 15 0 4747.79 4972.67 397.60 o
-6 15 0 4834.10 4739.37 273.73 o
-3 15 0 3197.60 3028.89 291.51 o
0 15 0 1974.75 1988.39 316.60 o
-14 16 0 1342.10 1499.43 451.62 o
-11 16 0 1029.44 993.00 246.39 o
-8 16 0 2160.60 2430.44 229.16 o
-5 16 0 3040.95 3306.70 444.94 o
-2 16 0 871.83 837.78 242.23 o
-13 17 0 2614.65 2288.50 350.22 o
-10 17 0 2419.03 2608.37 283.38 o
-7 17 0 1281.83 1123.04 265.70 o
-4 17 0 729.98 907.65 280.80 o
-9 18 0 590.05 529.76 193.37 o
-1 1 1 54211.83 32341.88 8111.35 o
-3 2 1 1198.36 1422.10 56.99 o
-5 3 1 977.38 1459.06 104.51 o
-2 3 1 114787.75 134255.08 1905.51 o
1 3 1 121117.49 136896.77 820.47 o
-7 4 1 12445.40 11850.57 276.25 o
-4 4 1 198761.08 232216.38 2097.09 o
-1 4 1 35352.53 45050.38 571.50 o
2 4 1 14005.76 15453.87 441.28 o
-9 5 1 7144.29 7252.56 303.28 o
-6 5 1 3872.45 4311.27 122.77 o
-3 5 1 2426.02 3137.47 129.69 o
0 5 1 1764.48 1490.81 63.78 o
3 5 1 6197.36 6651.17 412.90 o
-11 6 1 2820.48 2803.48 219.35 o
-8 6 1 4636.86 4525.06 136.93 o
-5 6 1 35587.88 38532.30 710.14 o
-2 6 1 23915.20 24821.47 449.95 o
1 6 1 130846.55 135929.13 2248.17 o
4 6 1 11573.83 12060.78 344.06 o
-13 7 1 6823.30 6545.53 309.28 o
-10 7 1 10135.76 10078.99 316.55 o
-7 7 1 46948.89 48221.81 598.11 o
-4 7 1 6513.05 5241.18 190.40 o
-1 7 1 147.51 71.02 42.96 o
2 7 1 10182.95 10077.28 241.30 o
5 7 1 1916.97 1714.49 188.00 o
-15 8 1 1394.08 2064.40 275.47 o
-12 8 1 1771.17 1613.64 187.77 o
-9 8 1 13428.86 14585.57 324.57 o
-6 8 1 1329.81 1367.70 93.80 o
-3 8 1 735.95 420.09 86.00 o
0 8 1 5314.75 4936.90 118.80 o
3 8 1 3426.68 3473.69 228.14 o
6 8 1 4073.58 4949.00 319.72 o
-17 9 1 1174.61 1123.51 194.04 o
-14 9 1 3208.92 3852.12 261.20 o
-11 9 1 1357.13 1224.98 191.09 o
-8 9 1 9648.28 9717.14 198.17 o
-5 9 1 26990.05 27206.83 1046.74 o
-2 9 1 10628.52 11318.77 317.32 o
1 9 1 14691.99 14659.75 461.34 o
4 9 1 2598.09 2876.23 241.25 o
7 9 1 2093.10 2320.96 413.95 o
-16 10 1 1497.90 1666.89 281.08 o
-13 10 1 5176.69 5723.16 306.34 o
-10 10 1 5419.57 5188.81 367.00 o
-7 10 1 6487.00 6350.01 255.52 o
-4 10 1 11587.97 11416.38 336.67 o
-1 10 1 4310.72 4605.78 178.31 o
2 10 1 1227.20 1297.82 210.01 o
5 10 1 2987.55 3022.80 339.95 o
8 10 1 373.99 515.94 197.87 o
-18 11 1 406.60 454.03 308.32 o
-15 11 1 3426.97 3754.12 382.52 o
-12 11 1 2460.68 2467.40 237.89 o
-9 11 1 8736.23 9364.69 323.69 o
-6 11 1 11416.04 11160.99 362.70 o
-3 11 1 2742.06 2735.61 185.79 o
0 11 1 6340.64 6040.60 529.67 o
3 11 1 3061.30 3474.97 341.33 o
6 11 1 872.25 887.69 261.21 o
-17 12 1 1952.05 1920.83 318.52 o
-14 12 1 4430.47 4788.61 330.19 o
-11 12 1 1374.13 1893.47 256.29 o
-8 12 1 1742.97 1767.85 186.08 o
-5 12 1 1009.12 1045.50 158.33 o
-2 12 1 1436.91 1576.31 194.42 o
1 12 1 170.53 158.35 150.98 o
4 12 1 913.40 622.70 223.78 o
-16 13 1 554.64 481.74 215.05 o
-13 13 1 865.91 1218.78 244.93 o
-10 13 1 1642.70 1926.80 260.05 o
-7 13 1 1950.00 1878.94 216.76 o
-4 13 1 4417.51 4456.50 206.24 o
-1 13 1 1622.92 1603.48 217.48 o
2 13 1 4566.66 4395.26 411.61 o
-15 14 1 276.61 561.33 230.89 o
-12 14 1 3366.82 3196.88 333.01 o
-9 14 1 3601.55 3931.84 286.09 o
-6 14 1 4101.99 4259.08 248.64 o
-3 14 1 5869.15 5546.85 320.79 o
0 14 1 1862.12 1715.81 391.22 o
3 14 1 1647.18 2453.57 627.39 o
-14 15 1 3931.33 3551.66 382.11 o
-11 15 1 1172.52 1545.87 417.93 o
-8 15 1 1956.46 2164.28 193.85 o
-5 15 1 3002.06 3639.19 307.84 o
-2 15 1 1080.32 750.49 198.23 o
1 15 1 500.35 623.25 246.93 o
-13 16 1 1639.80 1618.32 298.82 o
-10 16 1 1091.18 1004.99 180.65 o
-7 16 1 2576.43 2734.97 240.36 o
-4 16 1 1468.79 1357.16 237.78 o
-1 16 1 1541.27 1202.46 325.34 o
-12 17 1 1708.11 1598.82 243.89 o
-9 17 1 1656.87 1896.19 248.59 o
-6 17 1 1294.50 1264.11 289.43 o
-3 17 1 918.65 1267.95 525.29 o
-11 18 1 639.79 686.85 325.40 o
-8 18 1 749.53 837.39 281.84 o
-2 2 2 1564.05 1370.82 49.71 o
1 2 2 186048.59 205759.58 2037.86 o
-4 3 2 5452.60 4339.58 119.66 o
-1 3 2 16294.40 20828.31 193.78 o
2 3 2 7183.56 6867.05 202.45 o
-6 4 2 25432.88 25457.95 361.44 o
-3 4 2 184.70 93.04 33.52 o
0 4 2 43053.63 50114.99 430.69 o
3 4 2 266.71 89.01 44.07 o
-8 5 2 10289.74 9689.35 275.72 o
-5 5 2 19046.11 19285.43 285.98 o
-2 5 2 126.73 133.01 51.89 o
1 5 2 26976.29 28683.97 1018.65 o
4 5 2 16048.01 15870.97 365.53 o
-10 6 2 3922.66 4208.24 217.44 o
-7 6 2 308.32 219.91 52.28 o
-4 6 2 11663.41 11090.76 245.88 o
-1 6 2 2414.86 2470.83 82.55 o
2 6 2 24170.63 25482.81 610.84 o
5 6 2 8141.67 7375.52 292.33 o
-12 7 2 1549.40 1557.54 180.25 o
-9 7 2 8124.16 8549.05 245.87 o
-6 7 2 87915.59 91319.30 2306.91 o
-3 7 2 17081.01 17786.87 855.88 o
0 7 2 3333.11 2838.89 92.70 o
3 7 2 6227.91 5825.85 232.83 o
6 7 2 4829.90 4791.68 228.96 o
-14 8 2 6821.48 6164.24 316.30 o
-11 8 2 1041.90 963.56 126.83 o
-8 8 2 18977.67 17907.47 269.11 o
-5 8 2 2595.47 2404.12 160.48 o
-2 8 2 3730.65 4113.45 161.54 o
1 8 2 6950.00 6329.08 164.81 o
4 8 2 66.31 79.40 93.90 o
7 8 2 1021.22 1529.59 221.98 o
-16 9 2 1538.03 1748.25 273.65 o
-13 9 2 4625.89 5066.60 257.62 o
-10 9 2 1055.73 954.61 122.75 o
-7 9 2 3838.50 3789.51 196.76 o
-4 9 2 6966.40 7476.28 255.20 o
-1 9 2 16623.83 16726.63 297.16 o
2 9 2 11299.26 9539.95 328.87 o
5 9 2 4299.15 4459.45 376.59 o
8 9 2 1793.09 1242.68 270.05 o
-18 10 2 294.39 324.08 184.83 o
-15 10 2 2548.31 2762.08 271.89 o
-12 10 2 1163.03 1186.06 180.02 o
-9 10 2 11136.17 10709.03 323.54 o
-6 10 2 7279.10 6969.42 267.39 o
-3 10 2 9028.94 9910.11 353.08 o
0 10 2 848.31 840.98 144.72 o
3 10 2 5447.67 5499.45 350.78 o
6 10 2 1081.86 938.68 239.52 o
-17 11 2 1056.36 901.88 261.93 o
-14 11 2 4180.71 4083.94 310.90 o
-11 11 2 9667.32 8828.87 410.04 o
-8 11 2 4875.68 4725.73 241.63 o
-5 11 2 5142.88 5654.25 265.22 o
-2 11 2 7034.00 7166.27 228.70 o
1 11 2 1023.18 1144.73 209.53 o
4 11 2 809.20 951.40 240.34 o
-16 12 2 1760.19 1395.59 274.39 o
-13 12 2 4818.19 5125.78 359.43 o
-10 12 2 794.69 707.88 179.92 o
-7 12 2 3117.62 2947.28 235.65 o
-4 12 2 3528.06 3252.91 201.95 o
-1 12 2 1226.22 1346.04 185.32 o
2 12 2 3190.61 3388.49 361.88 o
5 12 2 1094.28 1137.87 285.01 o
-15 13 2 651.54 589.55 230.93 o
-12 13 2 1151.25 1104.71 217.92 o
-9 13 2 1244.88 1385.32 183.84 o
-6 13 2 1863.69 2011.98 184.11 o
-3 13 2 2756.51 2736.33 250.24 o
0 13 2 206.18 415.96 182.52 o
3 13 2 1355.43 947.91 249.69 o
-14 14 2 1235.05 1280.60 259.21 o
-11 14 2 952.45 1054.34 235.67 o
-8 14 2 3827.79 3970.91 296.52 o
-5 14 2 3373.84 3620.54 242.29 o
-2 14 2 2809.28 3137.90 289.18 o
1 14 2 3326.58 3603.78 399.21 o
-16 15 2 797.23 673.70 194.47 o
-13 15 2 2416.62 2487.54 332.36 o
-10 15 2 1996.79 2451.97 323.52 o
-7 15 2 1636.50 1833.31 196.62 o
-4 15 2 3765.69 3982.96 446.12 o
-1 15 2 913.52 832.64 234.06 o
-15 16 2 731.70 883.86 233.67 o
-12 16 2 2689.71 2438.94 268.90 o
-9 16 2 1864.31 1800.05 286.17 o
-6 16 2 2186.75 2306.18 269.17 o
-3 16 2 742.78 798.31 206.86 o
-11 17 2 941.17 872.78 200.28 o
-8 17 2 1656.07 1812.83 225.47 o
-5 17 2 1202.98 1007.28 227.82 o
-10 18 2 377.83 349.35 193.24 o
0 0 3 109261.80 90229.98 2921.23 o
1 1 3 49850.08 59015.86 913.12 o
-1 2 3 60245.32 85882.23 833.88 o
2 2 3 1325.02 1067.27 65.42 o
-3 3 3 16368.30 14755.22 435.13 o
3 3 3 8208.88 8672.91 296.96 o
-5 4 3 28975.16 31177.83 565.45 o
-2 4 3 480.27 208.55 44.48 o
1 4 3 10110.31 8309.48 124.10 o
4 4 3 4671.21 4362.87 297.80 o
-7 5 3 13667.15 14704.79 694.89 o
-4 5 3 1648.27 2653.36 99.99 o
-1 5 3 4422.93 4242.01 92.12 o
2 5 3 26804.34 27724.83 608.85 o
5 5 3 5308.98 5411.26 342.73 o
-9 6 3 262.73 322.03 93.26 o
-6 6 3 4855.07 3964.85 127.94 o
-3 6 3 13048.42 14221.75 421.64 o
0 6 3 1438.14 1415.59 70.10 o
3 6 3 4272.55 3789.96 119.81 o
6 6 3 597.58 551.72 109.21 o
-11 7 3 813.53 736.57 130.87 o
-8 7 3 17892.14 18155.13 351.89 o
-5 7 3 16909.07 18707.15 725.94 o
-2 7 3 43978.45 47445.95 951.47 o
1 7 3 26974.23 27905.51 492.69 o
4 7 3 1278.50 1221.91 134.06 o
7 7 3 2593.29 2590.77 247.70 o
-13 8 3 9023.16 8628.21 349.47 o
-10 8 3 4538.38 4153.75 238.52 o
-7 8 3 2093.71 1858.44 122.40 o
-4 8 3 11297.12 10233.12 523.13 o
-1 8 3 531.30 427.40 61.31 o
2 8 3 14997.36 14893.64 424.45 o
5 8 3 3004.66 2992.33 247.67 o
8 8 3 1322.24 1154.85 176.87 o
-15 9 3 3048.16 2825.64 237.74 o
-12 9 3 2523.34 2590.57 203.22 o
-9 9 3 1577.25 1542.12 135.30 o
-6 9 3 3404.78 3160.87 180.75 o
-3 9 3 4306.68 4410.09 179.95 o
0 9 3 1250.09 1513.02 137.98 o
3 9 3 606.73 518.23 164.71 o
6 9 3 2409.04 2374.63 299.58 o
9 9 3 328.34 258.42 191.11 o
-17 10 3 377.24 406.28 173.93 o
-14 10 3 1210.59 1480.68 221.37 o
-11 10 3 433.94 419.42 125.35 o
-8 10 3 12395.33 11489.57 339.86 o
-5 10 3 5856.75 6329.88 352.01 o
-2 10 3 5200.06 5697.03 197.54 o
1 10 3 4303.38 4233.24 298.84 o
4 10 3 4148.58 4332.41 378.21 o
7 10 3 1562.82 1161.25 300.72 o
-16 11 3 1452.31 1269.76 224.70 o
-13 11 3 3946.61 4087.33 300.65 o
-10 11 3 7560.31 7860.22 439.50 o
-7 11 3 5688.60 5407.81 259.29 o
-4 11 3 4256.07 4034.79 198.06 o
-1 11 3 1956.29 1992.83 204.36 o
2 11 3 3123.17 3649.94 413.93 o
5 11 3 525.80 666.96 223.08 o
-15 12 3 1808.92 1664.12 292.74 o
-12 12 3 5321.27 4813.52 358.02 o
-9 12 3 1759.99 2000.74 198.75 o
-6 12 3 1291.23 1481.01 157.21 o
-3 12 3 4582.05 4730.03 202.78 o
0 12 3 38.67 -12.57 140.12 o
3 12 3 1037.01 1105.78 253.50 o
-17 13 3 703.28 506.17 162.93 o
-14 13 3 287.06 254.44 176.54 o
-11 13 3 292.93 347.90 161.01 o
-8 13 3 455.49 654.29 149.74 o
-5 13 3 2150.24 2389.69 194.61 o
-2 13 3 1083.32 1337.75 198.15 o
1 13 3 2546.29 2540.30 437.29 o
4 13 3 1676.85 1547.77 453.31 o
-16 14 3 202.84 300.28 190.78 o
-13 14 3 4498.48 4633.54 399.86 o
-10 14 3 868.66 682.11 191.68 o
-7 14 3 1627.09 1866.69 188.73 o
-4 14 3 1732.31 2125.24 237.65 o
-1 14 3 1600.31 2207.23 305.37 o
2 14 3 608.25 854.64 266.43 o
-15 15 3 1084.21 806.27 257.47 o
-12 15 3 1115.75 1358.77 215.34 o
-9 15 3 1489.90 1819.85 195.98 o
-6 15 3 3974.39 3750.69 246.72 o
-3 15 3 1998.77 2213.19 263.85 o
0 15 3 1190.84 1125.90 297.41 o
-14 16 3 810.52 761.91 204.65 o
-11 16 3 1224.79 1718.81 235.69 o
-8 16 3 1798.90 2083.45 217.90 o
-5 16 3 1462.01 1717.63 248.97 o
-2 16 3 1340.65 1660.47 306.99 o
-13 17 3 1702.67 1672.18 321.57 o
-10 17 3 1420.96 1417.54 231.03 o
-7 17 3 1216.85 1204.54 272.16 o
-4 17 3 533.34 661.78 211.35 o
-9 18 3 793.28 880.90 212.58 o
-1 1 4 125876.41 134058.02 663.00 o
-3 2 4 215330.28 227888.61 2329.58 o
0 2 4 82325.59 85486.73 655.33 o
-5 3 4 21598.22 19304.90 375.81 o
-2 3 4 154683.86 168855.97 1384.05 o
1 3 4 174451.69 185531.03 1457.47 o
-7 4 4 15738.99 12874.81 668.00 o
-4 4 4 108184.63 117384.63 910.02 o
-1 4 4 15109.30 13806.68 153.38 o
2 4 4 36632.91 34981.64 810.80 o
-9 5 4 7152.33 6501.39 245.99 o
-6 5 4 29593.72 27597.15 935.38 o
-3 5 4 42561.44 41066.34 511.01 o
0 5 4 4864.78 3058.34 80.48 o
3 5 4 35624.37 38069.20 1316.22 o
-11 6 4 3151.66 3281.29 185.79 o
-8 6 4 9173.44 8517.48 187.57 o
-5 6 4 18071.80 14893.53 439.26 o
-2 6 4 26226.89 24285.92 499.33 o
1 6 4 63265.75 64241.80 664.00 o
4 6 4 13604.67 14250.40 321.06 o
-13 7 4 10980.06 9660.70 317.92 o
-10 7 4 9323.52 9034.74 269.33 o
-7 7 4 63101.14 64421.59 1498.25 o
-4 7 4 46344.09 39917.78 1076.82 o
-1 7 4 40563.30 40227.31 980.47 o
2 7 4 26850.23 26386.43 601.38 o
5 7 4 10504.92 9654.28 348.96 o
-15 8 4 2731.56 3033.83 242.92 o
-12 8 4 10736.07 10218.92 447.69 o
-9 8 4 29958.24 30541.79 426.29 o
-6 8 4 19639.44 18460.69 618.79 o
-3 8 4 18505.62 14434.20 336.52 o
0 8 4 20566.28 20886.30 362.06 o
3 8 4 9567.76 9741.09 283.37 o
6 8 4 3941.91 3942.97 243.03 o
-17 9 4 932.51 896.46 195.30 o
-14 9 4 3403.69 3373.89 216.91 o
-11 9 4 2761.85 2996.48 194.38 o
-8 9 4 8899.34 8670.07 274.24 o
-5 9 4 24383.02 22589.72 436.99 o
-2 9 4 19133.78 17075.57 328.12 o
1 9 4 5572.63 5784.00 259.31 o
4 9 4 6168.55 6576.33 394.21 o
7 9 4 2182.82 2177.56 311.25 o
-16 10 4 1629.88 1420.85 185.36 o
-13 10 4 5029.58 4974.87 295.77 o
-10 10 4 10896.60 9451.93 392.87 o
-7 10 4 19684.93 20423.75 488.47 o
-4 10 4 23623.10 21441.64 434.24 o
-1 10 4 11134.96 10633.22 296.93 o
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