#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/67/2206748.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_2206748_Fobs
loop_
_publ_author_name
'Parvez, Masood'
'Piers, Warren E.'
'Ghesner, Ioan'
_publ_section_title
;
 Thallium tetrakis(pentafluorophenyl)borate
;
_journal_coeditor_code           LH6488
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1801
_journal_page_last               m1803
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   19.0950
_cell_length_b                   19.0950
_cell_length_c                   19.0950
_exptl_crystal_F_000             4920.00
_reflns_d_resolution_high        0.7706
_[local]_cod_data_source_file    lh6488Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Compound X'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            890.76
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/4, z+1/4, -y+3/4'
'-x+3/4, -z+1/4, y+1/4'
'-z+3/4, -y+1/4, x+1/4'
'y, -z, -x+1/2'
'-z+1/2, x, -y'
'-z+1/4, y+1/4, -x+3/4'
'-y+1/4, x+1/4, -z+3/4'
'-z, -x+1/2, y'
'x, -y, -z+1/2'
'y+1/4, -x+3/4, -z+1/4'
'x+1/4, -z+3/4, -y+1/4'
'-x+1/2, y, -z'
'-y, -z+1/2, x'
'-x, -y+1/2, z'
'y+1/4, x+1/4, z+1/4'
'-y+1/2, z, -x'
'x+1/4, z+1/4, y+1/4'
'z+1/4, y+1/4, x+1/4'
'z+1/2, -x+1/2, -y'
'z, x, y'
'-y+3/4, -x+1/4, z+1/4'
'y, z, x'
'z+1/4, -y+3/4, -x+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+3/4, z+3/4, -y+5/4'
'-x+5/4, -z+3/4, y+3/4'
'-z+5/4, -y+3/4, x+3/4'
'y+1/2, -z+1/2, -x+1'
'-z+1, x+1/2, -y+1/2'
'-z+3/4, y+3/4, -x+5/4'
'-y+3/4, x+3/4, -z+5/4'
'-z+1/2, -x+1, y+1/2'
'x+1/2, -y+1/2, -z+1'
'y+3/4, -x+5/4, -z+3/4'
'x+3/4, -z+5/4, -y+3/4'
'-x+1, y+1/2, -z+1/2'
'-y+1/2, -z+1, x+1/2'
'-x+1/2, -y+1, z+1/2'
'y+3/4, x+3/4, z+3/4'
'-y+1, z+1/2, -x+1/2'
'x+3/4, z+3/4, y+3/4'
'z+3/4, y+3/4, x+3/4'
'z+1, -x+1, -y+1/2'
'z+1/2, x+1/2, y+1/2'
'-y+5/4, -x+3/4, z+3/4'
'y+1/2, z+1/2, x+1/2'
'z+3/4, -y+5/4, -x+3/4'
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 3 1284.88 2136.45 438.86 o
1 2 3 2035.31 3582.58 265.72 o
-2 3 3 25031.87 27181.88 955.59 o
2 3 3 19625.41 20171.37 616.36 o
0 0 4 397628.44 421601.53 14493.40 o
-2 2 4 723388.13 768194.44 26262.14 o
0 2 4 47100.12 48733.03 871.14 o
2 2 4 793452.38 889535.94 14760.10 o
-1 3 4 28996.25 30023.18 620.17 o
1 3 4 32438.98 33716.42 619.47 o
-4 4 4 539878.69 515880.91 18738.13 o
0 4 4 225015.91 200540.81 3563.44 o
4 4 4 609081.06 608755.19 20900.50 o
0 1 5 94235.20 92369.09 1974.44 o
-1 2 5 79804.06 75456.30 1865.55 o
1 2 5 72202.66 67201.92 2632.07 o
-2 3 5 52922.77 56478.56 1511.38 o
0 3 5 57495.20 56492.57 1148.35 o
2 3 5 52810.51 56315.38 975.79 o
-3 4 5 1708.76 1202.24 345.21 o
-1 4 5 75947.33 76155.90 2601.89 o
1 4 5 67682.58 71374.52 1120.15 o
3 4 5 4835.44 4580.18 322.70 o
-2 5 5 205865.56 211008.53 5653.96 o
2 5 5 239579.86 236486.03 4323.06 o
-1 1 6 5783.99 7121.94 687.91 o
1 1 6 6877.22 7956.95 474.18 o
0 2 6 616935.50 594649.63 11760.07 o
-3 3 6 3058.01 3407.43 646.83 o
-1 3 6 7359.56 7534.41 307.71 o
1 3 6 8210.21 9057.60 346.82 o
3 3 6 5600.86 5663.39 468.10 o
-2 4 6 676395.44 703783.69 14013.05 o
0 4 6 20757.24 20696.10 626.54 o
2 4 6 666110.13 666663.88 8689.17 o
-5 5 6 12735.03 11611.50 624.83 o
-3 5 6 7107.71 5924.89 457.75 o
-1 5 6 66288.81 62595.88 1277.96 o
1 5 6 57598.19 56342.05 993.39 o
3 5 6 6242.83 5700.81 235.12 o
5 5 6 7205.04 7952.14 554.80 o
-4 6 6 206699.97 182304.22 5022.67 o
0 6 6 499621.34 503669.53 10025.02 o
4 6 6 206430.00 189693.91 3414.29 o
0 1 7 41334.43 41122.68 1174.94 o
-1 2 7 5871.60 6597.26 448.46 o
1 2 7 7704.01 8610.76 404.74 o
-2 3 7 21575.98 21478.36 530.69 o
0 3 7 62587.14 58746.50 1282.64 o
2 3 7 22844.40 21991.71 551.41 o
-3 4 7 25357.06 24800.66 1070.49 o
-1 4 7 139342.34 140377.36 2628.66 o
1 4 7 118913.70 117873.88 5687.06 o
3 4 7 20462.69 19728.03 471.68 o
-4 5 7 62201.50 64075.45 1763.11 o
-2 5 7 36337.77 37254.86 1238.08 o
0 5 7 875.06 1165.53 406.93 o
2 5 7 39433.70 40323.47 684.98 o
4 5 7 53100.83 53678.95 950.19 o
-5 6 7 3922.88 3866.32 516.87 o
-3 6 7 21850.12 21112.74 755.27 o
-1 6 7 38982.86 38488.53 857.26 o
1 6 7 34890.05 35169.47 638.92 o
3 6 7 22500.44 22930.22 1246.05 o
5 6 7 4074.85 4274.95 243.10 o
-6 7 7 75344.59 82564.71 2639.83 o
-2 7 7 84483.69 84657.58 2677.78 o
2 7 7 90079.33 94155.42 1636.41 o
6 7 7 67721.30 69941.77 1790.84 o
0 0 8 26537.25 23339.92 1544.38 o
-2 2 8 594431.38 592198.31 21143.00 o
0 2 8 9909.13 12119.78 555.23 o
2 2 8 573566.81 574183.13 11929.50 o
-1 3 8 38700.94 36116.94 807.38 o
1 3 8 41152.15 40261.02 1612.54 o
-4 4 8 428809.56 400643.59 14523.28 o
-2 4 8 4278.04 4105.30 211.62 o
0 4 8 425207.38 426664.25 6350.57 o
2 4 8 4270.82 4187.55 308.91 o
4 4 8 355991.84 347249.63 7596.33 o
-3 5 8 2975.13 3120.28 502.89 o
-1 5 8 12376.06 12328.74 395.94 o
1 5 8 11167.74 10223.21 324.82 o
3 5 8 988.88 1145.38 257.61 o
-6 6 8 153157.11 145680.33 5939.74 o
-4 6 8 137.43 975.55 484.61 o
-2 6 8 166585.75 151743.14 5473.20 o
0 6 8 12456.81 13245.55 331.07 o
2 6 8 185249.64 173522.92 2287.51 o
4 6 8 135.45 438.79 314.52 o
6 6 8 169066.52 164238.22 3353.25 o
-5 7 8 13088.13 12991.07 619.49 o
-3 7 8 23295.57 24493.76 1054.41 o
-1 7 8 7760.84 8146.40 592.31 o
1 7 8 5752.85 5641.03 279.78 o
3 7 8 20672.15 21323.82 419.62 o
5 7 8 13302.96 13707.60 332.78 o
-4 8 8 190326.69 184172.73 5232.21 o
0 8 8 441703.22 450171.22 9670.34 o
4 8 8 196977.64 191111.36 3412.28 o
8 8 8 194850.47 203975.86 7911.04 o
0 1 9 13518.47 13210.81 801.47 o
1 2 9 18300.91 16456.12 606.86 o
-2 3 9 2697.52 1842.51 609.14 o
0 3 9 10991.74 11033.42 763.39 o
2 3 9 3310.44 2644.19 299.05 o
-3 4 9 72512.89 74054.01 2133.71 o
-1 4 9 2539.95 2183.21 289.78 o
1 4 9 4907.28 5227.76 294.74 o
3 4 9 81988.89 83251.26 1466.75 o
-4 5 9 655.17 133.24 487.70 o
-2 5 9 19591.12 18597.44 644.56 o
0 5 9 20313.41 19929.32 570.14 o
2 5 9 22120.79 20002.70 1523.66 o
4 5 9 1469.68 845.38 378.09 o
-5 6 9 38459.37 34847.00 1253.98 o
-3 6 9 9775.78 9187.62 639.99 o
-1 6 9 55981.14 52792.89 2475.96 o
1 6 9 67447.25 64808.04 1208.34 o
3 6 9 12102.38 10846.70 387.89 o
5 6 9 45556.28 41967.41 854.58 o
-6 7 9 4408.12 5526.47 1596.68 o
-4 7 9 4971.24 2986.35 1357.20 o
-2 7 9 28461.10 28721.72 1617.43 o
0 7 9 13169.07 13394.08 480.66 o
2 7 9 28337.86 28197.87 541.18 o
4 7 9 6184.74 5307.63 277.56 o
6 7 9 5241.98 4499.11 307.43 o
-7 8 9 20437.69 23048.04 1362.79 o
-5 8 9 7418.21 5819.22 1695.56 o
-3 8 9 29096.09 29676.56 1704.05 o
-1 8 9 12376.84 13132.52 584.26 o
1 8 9 16851.14 18018.19 517.84 o
3 8 9 27029.16 27340.31 1636.89 o
5 8 9 8727.74 8739.71 338.60 o
7 8 9 21472.36 23185.56 490.28 o
-2 9 9 35147.02 34836.46 1525.47 o
2 9 9 28235.39 27425.43 874.97 o
6 9 9 18423.86 17754.49 578.51 o
-1 1 10 1343.71 1847.15 704.22 o
1 1 10 827.69 115.44 525.23 o
0 2 10 187629.00 165940.42 6309.93 o
-3 3 10 43509.25 42695.10 1197.60 o
-1 3 10 15586.11 16337.36 1536.39 o
1 3 10 17492.75 18513.32 621.96 o
3 3 10 52063.01 49812.68 1292.47 o
-2 4 10 262362.75 248762.94 3806.68 o
0 4 10 3039.58 3153.44 346.24 o
2 4 10 250940.59 236022.70 4273.88 o
-5 5 10 24178.99 22554.49 2021.45 o
-3 5 10 939.08 572.77 630.58 o
-1 5 10 7690.41 7175.34 369.85 o
1 5 10 6878.63 6696.31 367.80 o
3 5 10 786.35 445.92 303.16 o
5 5 10 19677.51 18088.04 775.62 o
-4 6 10 221771.11 210507.34 8235.68 o
-2 6 10 9693.31 11339.31 1462.27 o
0 6 10 181070.78 176289.58 6024.25 o
2 6 10 9691.66 9941.32 389.19 o
4 6 10 218599.94 212089.75 3072.02 o
-7 7 10 34041.29 33750.80 2301.45 o
-5 7 10 4211.78 3675.93 684.26 o
-3 7 10 13403.80 13346.43 822.31 o
-1 7 10 5218.93 4764.98 327.00 o
1 7 10 6785.61 7508.28 337.20 o
3 7 10 12986.58 12516.55 459.67 o
5 7 10 3564.39 3245.79 407.06 o
7 7 10 35772.00 35370.50 1084.31 o
-6 8 10 181925.80 181517.09 5622.38 o
-4 8 10 599.28 1385.13 678.20 o
-2 8 10 123253.81 124709.13 6527.48 o
0 8 10 2205.23 2721.77 487.80 o
2 8 10 137486.80 135656.75 1931.16 o
4 8 10 608.66 885.23 323.07 o
6 8 10 177616.36 170468.45 2338.29 o
-7 9 10 6376.77 6254.35 787.65 o
-5 9 10 8612.57 8644.05 815.32 o
-3 9 10 3065.64 2712.05 721.66 o
-1 9 10 17329.41 19060.91 1128.04 o
1 9 10 26881.51 27272.67 666.99 o
3 9 10 4092.43 4020.12 299.17 o
5 9 10 10564.29 9433.63 369.30 o
7 9 10 7014.28 7451.70 337.65 o
9 9 10 56960.54 56020.51 1028.27 o
-8 10 10 35062.04 35526.58 2538.03 o
-4 10 10 171401.19 177091.95 7765.79 o
0 10 10 152769.80 157949.83 3856.02 o
4 10 10 144951.70 145053.30 3879.06 o
8 10 10 48032.48 46072.50 1346.37 o
0 1 11 11495.03 11879.54 653.37 o
-1 2 11 28528.14 28958.35 1028.13 o
1 2 11 27074.23 26265.38 907.71 o
-2 3 11 12528.11 11358.33 447.01 o
0 3 11 53834.29 55223.95 1886.11 o
2 3 11 15034.38 14581.61 555.34 o
-3 4 11 8785.33 9544.68 432.59 o
-1 4 11 6595.16 6143.24 1097.62 o
1 4 11 14483.09 13326.64 723.02 o
3 4 11 5226.00 4846.04 360.80 o
-4 5 11 40590.54 42899.25 1866.94 o
-2 5 11 1399.40 1516.34 380.96 o
0 5 11 18242.38 19610.17 549.17 o
2 5 11 2222.41 2240.79 326.79 o
4 5 11 43313.66 45103.60 931.71 o
-5 6 11 1993.61 1479.59 1379.63 o
-3 6 11 1403.52 1373.05 529.82 o
-1 6 11 39016.83 39539.40 919.40 o
1 6 11 40549.34 42901.73 1555.89 o
3 6 11 5246.85 4790.82 338.44 o
5 6 11 630.05 -68.02 278.65 o
-6 7 11 7262.30 9329.12 979.93 o
-4 7 11 1714.74 1181.97 612.63 o
-2 7 11 20690.61 21306.41 956.21 o
0 7 11 5927.07 6603.80 395.33 o
2 7 11 24774.98 24731.27 589.68 o
4 7 11 1944.30 1416.85 435.82 o
6 7 11 12545.40 12497.24 517.51 o
-7 8 11 23982.96 28287.43 3186.30 o
-5 8 11 26037.15 25603.61 1557.63 o
-3 8 11 6656.43 8188.24 1816.58 o
-1 8 11 28810.25 29302.59 843.69 o
1 8 11 20181.75 20903.23 558.44 o
3 8 11 10013.85 10680.73 438.11 o
5 8 11 31897.35 32923.21 670.37 o
7 8 11 21103.28 21129.56 775.32 o
-8 9 11 13591.07 15973.43 1349.23 o
-6 9 11 3208.27 3410.00 602.20 o
-4 9 11 37194.72 42003.88 1622.40 o
-2 9 11 932.13 1566.64 637.76 o
0 9 11 100891.57 109767.70 2449.55 o
2 9 11 1019.47 443.98 262.93 o
4 9 11 33743.87 33503.48 924.42 o
6 9 11 3840.33 4177.94 469.30 o
8 9 11 16344.36 16878.25 1549.55 o
-9 10 11 522.09 1148.48 1038.82 o
-7 10 11 20113.33 20546.06 2203.84 o
-5 10 11 2268.68 810.49 783.02 o
-3 10 11 48105.03 51586.52 1801.92 o
-1 10 11 9313.62 10713.95 667.63 o
1 10 11 8942.52 9247.84 407.55 o
3 10 11 38365.39 40144.75 965.45 o
5 10 11 1728.60 1501.84 419.79 o
7 10 11 12032.25 12399.25 783.05 o
9 10 11 494.56 181.73 214.63 o
-6 11 11 61947.69 62615.41 4225.12 o
-2 11 11 15728.79 13940.12 1081.21 o
2 11 11 19169.79 20476.36 827.15 o
6 11 11 59470.96 59855.53 1417.66 o
10 11 11 12656.12 11961.58 791.66 o
0 0 12 536616.63 549072.06 21092.74 o
-2 2 12 183580.16 182406.72 7488.37 o
0 2 12 13153.17 13977.37 655.68 o
2 2 12 164570.63 155177.00 4789.41 o
-1 3 12 4923.91 5439.32 574.63 o
1 3 12 3293.91 2806.13 364.84 o
-4 4 12 131373.67 131351.05 5800.60 o
-2 4 12 4055.45 3928.71 1359.85 o
0 4 12 198280.16 199648.30 5322.97 o
2 4 12 4060.15 4089.51 393.42 o
4 4 12 146010.16 146817.23 3162.24 o
-3 5 12 22720.10 21785.25 848.89 o
-1 5 12 12653.41 12216.33 1257.45 o
1 5 12 14272.37 14807.83 585.01 o
3 5 12 25509.22 25404.81 680.56 o
-6 6 12 122442.59 106182.97 5204.53 o
-4 6 12 5412.76 5858.34 1002.22 o
-2 6 12 137290.44 134058.06 2887.33 o
0 6 12 684.57 1124.38 344.30 o
2 6 12 145970.63 144603.30 2213.67 o
4 6 12 5418.31 5419.25 372.46 o
6 6 12 111908.51 111633.48 2587.14 o
-5 7 12 4403.70 3748.02 976.82 o
-3 7 12 12896.19 12453.32 1988.58 o
-1 7 12 1438.04 1468.76 542.57 o
1 7 12 3524.14 4232.06 425.45 o
3 7 12 13723.43 12150.86 502.98 o
5 7 12 4639.86 4732.44 438.85 o
-8 8 12 76496.91 80375.06 4925.20 o
-6 8 12 25392.93 24330.83 1510.33 o
-4 8 12 73850.70 75624.71 2443.37 o
-2 8 12 4515.88 4205.62 1235.70 o
0 8 12 89741.71 92826.53 2141.83 o
2 8 12 4498.01 4554.22 467.72 o
4 8 12 87289.14 86559.90 1706.50 o
6 8 12 25392.70 26360.07 632.51 o
8 8 12 66686.70 68713.04 1767.84 o
-7 9 12 31872.40 33541.91 1770.02 o
-5 9 12 19020.52 17779.35 1827.77 o
-3 9 12 16829.05 17998.63 1015.23 o
-1 9 12 3371.52 4389.19 672.37 o
1 9 12 1175.77 1180.87 404.02 o
3 9 12 13210.01 13290.61 465.74 o
5 9 12 18527.67 18441.76 549.18 o
7 9 12 31803.23 33697.63 967.51 o
-8 10 12 7993.66 6920.22 1047.42 o
-6 10 12 57722.84 64194.36 2365.72 o
-4 10 12 904.71 1557.88 778.69 o
-2 10 12 97454.74 99351.41 5794.54 o
0 10 12 1441.49 1112.59 406.92 o
2 10 12 99381.61 101983.77 1890.01 o
4 10 12 899.71 1204.26 332.05 o
6 10 12 46325.12 47835.02 1115.59 o
8 10 12 7971.77 7690.47 428.56 o
10 10 12 37589.29 37356.43 1118.14 o
-9 11 12 5183.08 2898.56 1270.28 o
-7 11 12 623.49 1933.61 1073.46 o
-5 11 12 6184.26 7744.55 827.50 o
-3 11 12 2026.29 2691.34 1073.64 o
-1 11 12 23425.87 24525.25 1182.92 o
1 11 12 28732.27 30149.04 781.71 o
3 11 12 1620.79 1411.62 326.74 o
5 11 12 3080.26 3755.30 532.60 o
7 11 12 522.69 414.48 600.21 o
9 11 12 5994.56 6013.09 512.10 o
-8 12 12 39404.90 34893.55 3685.20 o
-4 12 12 40875.53 49064.28 3837.49 o
0 12 12 39760.65 41290.07 1959.29 o
4 12 12 58258.30 56689.97 2067.58 o
8 12 12 36783.46 35063.75 1442.40 o
12 12 12 29407.60 32812.08 3223.34 o
0 1 13 5957.73 4886.08 721.98 o
-1 2 13 34134.05 31540.38 1088.64 o
1 2 13 33305.73 32431.51 1098.40 o
-2 3 13 16611.25 16380.31 1090.33 o
0 3 13 15613.25 15292.94 659.32 o
2 3 13 11129.44 12166.18 814.96 o
-3 4 13 34724.48 34947.70 793.32 o
-1 4 13 14502.31 15367.62 648.58 o
1 4 13 14957.00 14625.16 615.87 o
3 4 13 31303.62 31479.59 725.29 o
-4 5 13 4498.61 5899.02 893.41 o
-2 5 13 59531.36 58922.75 1378.01 o
0 5 13 5138.17 5046.27 377.15 o
2 5 13 48256.77 48677.94 1870.18 o
4 5 13 4120.65 4378.31 343.52 o
-5 6 13 51706.08 51617.88 4582.53 o
-3 6 13 5204.87 5607.15 1017.32 o
-1 6 13 1991.65 675.08 402.08 o
1 6 13 1116.56 1655.38 343.40 o
3 6 13 6073.99 5850.60 545.78 o
5 6 13 44178.93 46065.72 909.89 o
-6 7 13 10583.31 10793.42 1935.69 o
-4 7 13 19748.35 23413.15 3129.69 o
-2 7 13 705.81 -505.29 709.49 o
0 7 13 37398.76 39573.74 1342.34 o
2 7 13 1243.93 1263.23 274.07 o
4 7 13 15499.33 15830.46 509.28 o
6 7 13 11005.46 10850.58 439.87 o
-7 8 13 4972.83 6172.59 1512.83 o
-5 8 13 6272.11 5647.58 973.44 o
-3 8 13 25348.67 27180.20 1334.15 o
-1 8 13 15682.61 16574.92 1001.67 o
1 8 13 17767.38 18120.15 812.59 o
3 8 13 26539.76 24811.05 1100.02 o
5 8 13 3667.55 3681.27 350.15 o
7 8 13 11781.06 12383.23 469.71 o
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