#------------------------------------------------------------------------------
#$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/92/1529242.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1529242
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.3767
_cell_length_b                   14.7003
_cell_length_c                   16.6064
_exptl_crystal_F_000             744.00
_reflns_d_resolution_high        0.7135
_cod_data_source_file            TlDETBA.fcf
_cod_data_source_block           a
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' z in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            304.08
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
2 0 0 29050.30 29029.30 795.77 o
4 0 0 264.59 336.68 42.23 o
1 1 0 261.80 302.66 12.31 o
2 1 0 17586.38 17546.68 344.54 o
3 1 0 6397.72 6467.85 140.16 o
4 1 0 3438.49 3502.70 91.07 o
5 1 0 366.69 376.37 62.96 o
6 1 0 58.00 84.39 95.69 o
0 2 0 9334.02 10248.62 296.12 o
1 2 0 63846.76 62096.84 1294.72 o
2 2 0 322.64 339.73 18.19 o
3 2 0 752.44 842.11 34.97 o
4 2 0 36.89 45.62 24.40 o
5 2 0 1008.22 1107.29 79.61 o
6 2 0 7.98 85.14 83.63 o
1 3 0 6370.85 6450.53 142.41 o
2 3 0 22692.45 22630.87 442.05 o
3 3 0 8073.33 8172.61 173.51 o
4 3 0 4505.47 4548.92 139.14 o
5 3 0 356.86 370.26 65.81 o
0 4 0 92463.69 98879.95 4164.40 o
1 4 0 469.01 507.76 19.70 o
2 4 0 11898.79 12066.36 242.35 o
3 4 0 23.00 23.44 14.80 o
4 4 0 319.16 340.29 37.87 o
5 4 0 19.30 90.30 50.29 o
1 5 0 11620.52 11807.77 235.98 o
2 5 0 3343.50 3193.93 75.01 o
3 5 0 7217.82 7320.30 175.39 o
4 5 0 786.00 784.27 61.66 o
5 5 0 556.36 519.13 76.76 o
0 6 0 7553.02 7641.45 220.75 o
1 6 0 49433.20 51196.86 985.01 o
2 6 0 5105.00 5256.50 115.99 o
3 6 0 862.03 873.21 49.70 o
4 6 0 44.20 21.43 29.56 o
5 6 0 611.35 631.84 81.37 o
1 7 0 1344.24 1293.76 50.88 o
2 7 0 14508.46 14560.30 325.24 o
3 7 0 6004.67 5880.05 166.95 o
4 7 0 3210.42 3118.83 130.17 o
5 7 0 352.03 375.43 69.55 o
0 8 0 26520.44 27645.44 763.43 o
1 8 0 2577.53 2659.70 66.80 o
2 8 0 2713.53 2824.61 84.71 o
3 8 0 89.05 112.57 26.83 o
4 8 0 202.27 264.36 50.31 o
5 8 0 18.67 -11.68 48.26 o
1 9 0 5589.26 5503.94 122.40 o
2 9 0 1162.64 1194.18 57.33 o
3 9 0 7661.02 7515.52 209.97 o
4 9 0 375.21 407.65 54.07 o
5 9 0 739.83 756.72 134.60 o
0 10 0 1906.33 1929.46 76.77 o
1 10 0 15863.19 16181.23 360.58 o
2 10 0 272.20 303.06 34.05 o
3 10 0 78.28 70.33 27.97 o
4 10 0 94.29 70.86 37.97 o
5 10 0 440.25 468.37 82.08 o
1 11 0 799.01 795.40 42.91 o
2 11 0 3143.87 3122.04 106.01 o
3 11 0 770.65 796.63 57.86 o
4 11 0 1007.02 911.89 79.80 o
0 12 0 4028.46 4105.93 141.12 o
1 12 0 5420.18 5323.44 155.44 o
2 12 0 1511.60 1596.60 73.45 o
3 12 0 56.79 53.24 30.77 o
4 12 0 103.99 69.79 44.49 o
1 13 0 3713.46 3543.83 116.08 o
2 13 0 666.40 746.12 54.78 o
3 13 0 2753.75 2705.46 140.28 o
4 13 0 166.31 117.78 47.56 o
0 14 0 1126.49 985.54 129.80 o
1 14 0 2050.14 2104.71 76.66 o
2 14 0 626.57 584.85 51.09 o
3 14 0 9.62 38.10 38.45 o
4 14 0 18.46 10.64 43.60 o
1 15 0 4.15 -9.53 25.14 o
2 15 0 1881.35 1834.46 89.42 o
3 15 0 4.72 -0.58 39.95 o
4 15 0 645.34 471.97 135.71 o
0 16 0 2967.68 2919.09 228.38 o
1 16 0 1194.61 1306.61 115.01 o
2 16 0 675.22 713.66 59.90 o
3 16 0 2.11 2.35 43.15 o
1 17 0 436.21 492.38 79.40 o
2 17 0 61.02 99.97 37.85 o
3 17 0 577.12 627.51 126.94 o
0 18 0 807.07 670.42 131.97 o
1 18 0 329.04 481.77 84.20 o
2 18 0 82.73 79.76 47.73 o
1 19 0 0.87 -51.22 51.22 o
2 19 0 471.91 532.19 134.93 o
1 0 1 3473.26 3660.51 75.21 o
2 0 1 15183.17 15520.43 306.01 o
3 0 1 32.01 46.37 14.28 o
4 0 1 3085.11 3029.51 90.41 o
5 0 1 592.12 776.03 83.29 o
6 0 1 44.69 64.80 99.46 o
-5 1 1 646.24 655.13 70.71 o
-4 1 1 3940.91 4026.63 108.26 o
-3 1 1 3582.83 3633.33 87.58 o
-2 1 1 16869.57 16997.95 338.05 o
-1 1 1 10587.74 10826.19 199.42 o
0 1 1 29797.38 27981.41 1519.96 o
1 1 1 11165.46 11235.69 235.88 o
2 1 1 17099.53 17423.38 338.57 o
3 1 1 3727.92 3782.84 88.08 o
4 1 1 3700.08 3645.28 105.72 o
5 1 1 537.46 600.12 104.04 o
6 1 1 129.92 170.30 108.51 o
-5 2 1 759.02 765.00 84.51 o
-4 2 1 613.53 643.91 37.55 o
-3 2 1 9180.77 9109.59 178.21 o
-2 2 1 10518.58 10789.45 198.80 o
-1 2 1 5586.19 5776.95 108.21 o
0 2 1 32672.00 34982.05 1303.56 o
1 2 1 5805.68 5833.79 127.60 o
2 2 1 10159.40 10505.84 233.91 o
3 2 1 9347.05 9316.03 210.61 o
4 2 1 520.48 596.00 44.34 o
5 2 1 654.10 719.60 80.71 o
6 2 1 484.68 617.40 88.48 o
-5 3 1 179.25 212.96 46.32 o
-4 3 1 1242.70 1327.28 63.74 o
-3 3 1 3846.97 3856.44 91.19 o
-2 3 1 7129.72 7126.00 148.26 o
-1 3 1 16851.72 16982.96 316.42 o
0 3 1 22814.26 24030.75 462.84 o
1 3 1 14799.72 15104.13 342.81 o
2 3 1 7244.43 7143.20 147.51 o
3 3 1 3876.36 3800.47 90.62 o
4 3 1 1188.09 1280.14 56.19 o
5 3 1 192.25 263.54 119.82 o
-5 4 1 920.66 1034.92 98.22 o
-4 4 1 3115.30 3152.34 106.96 o
-3 4 1 630.70 714.84 33.39 o
-2 4 1 11693.59 11723.77 221.31 o
-1 4 1 21078.55 21493.63 421.41 o
0 4 1 7795.09 8413.32 167.69 o
1 4 1 21270.21 21823.34 461.83 o
2 4 1 9930.61 10019.22 217.61 o
3 4 1 575.64 569.32 34.19 o
4 4 1 3064.04 3102.45 93.65 o
5 4 1 1035.92 1008.50 107.87 o
-5 5 1 511.12 430.34 70.75 o
-4 5 1 2393.47 2378.96 91.45 o
-3 5 1 4451.07 4359.28 115.62 o
-2 5 1 7676.31 7491.15 161.31 o
-1 5 1 13577.60 13981.55 250.77 o
0 5 1 2468.83 2503.12 57.00 o
1 5 1 13068.94 13013.65 332.72 o
2 5 1 8179.33 7972.71 175.66 o
3 5 1 4413.28 4565.86 116.32 o
4 5 1 2375.85 2414.61 89.54 o
5 5 1 701.65 630.29 82.19 o
-5 6 1 397.28 399.78 70.89 o
-4 6 1 745.36 750.25 63.72 o
-3 6 1 5650.60 5621.08 148.59 o
-2 6 1 5467.56 5512.40 113.10 o
-1 6 1 5082.31 5208.83 111.06 o
0 6 1 15255.08 15215.35 300.24 o
1 6 1 6291.70 6293.32 133.23 o
2 6 1 4396.19 4381.35 121.11 o
3 6 1 6250.97 6336.46 150.65 o
4 6 1 733.59 700.27 65.86 o
5 6 1 460.96 557.97 80.28 o
-5 7 1 329.97 280.30 96.48 o
-4 7 1 334.85 385.46 50.68 o
-3 7 1 3772.91 3765.82 107.67 o
-2 7 1 3278.49 3366.95 85.42 o
-1 7 1 6801.60 7097.20 131.17 o
0 7 1 11556.40 11568.96 232.75 o
1 7 1 5705.09 5965.56 150.90 o
2 7 1 3771.31 3804.38 97.58 o
3 7 1 3960.42 3986.83 121.91 o
4 7 1 288.96 333.23 47.62 o
5 7 1 376.71 347.55 68.00 o
-5 8 1 399.52 391.48 73.78 o
-4 8 1 1553.64 1466.13 90.02 o
-3 8 1 1069.44 1045.80 61.00 o
-2 8 1 5791.61 5760.24 143.15 o
-1 8 1 13432.17 13548.14 250.72 o
0 8 1 3739.10 3800.39 86.76 o
1 8 1 13081.51 13074.29 294.53 o
2 8 1 5546.31 5480.87 141.82 o
3 8 1 1106.91 1113.65 67.75 o
4 8 1 1709.61 1663.65 91.67 o
5 8 1 443.57 501.64 80.37 o
-5 9 1 339.87 280.64 71.57 o
-4 9 1 980.17 961.59 77.71 o
-3 9 1 1296.14 1368.63 65.92 o
-2 9 1 3864.73 3675.68 101.10 o
-1 9 1 9007.77 9009.13 173.85 o
0 9 1 2853.02 2889.03 71.26 o
1 9 1 8860.78 8709.69 202.89 o
2 9 1 3290.50 3244.41 108.57 o
3 9 1 1358.50 1513.48 69.62 o
4 9 1 1008.20 1000.45 77.89 o
5 9 1 362.00 330.37 71.80 o
-5 10 1 177.84 135.96 54.89 o
-4 10 1 187.25 182.32 44.10 o
-3 10 1 2136.94 2204.22 100.64 o
-2 10 1 2136.05 2247.26 79.31 o
-1 10 1 3921.38 3953.66 96.41 o
0 10 1 4839.32 4830.57 109.87 o
1 10 1 3763.51 3733.81 99.11 o
2 10 1 1902.46 1818.56 76.04 o
3 10 1 2059.57 2118.71 86.29 o
4 10 1 165.47 157.40 41.95 o
5 10 1 188.65 202.92 66.58 o
-5 11 1 305.54 318.80 119.83 o
-4 11 1 137.01 207.85 47.92 o
-3 11 1 3797.62 3815.87 151.92 o
-2 11 1 1592.32 1538.87 92.77 o
-1 11 1 1907.40 1948.45 62.61 o
0 11 1 6233.48 6123.81 136.22 o
1 11 1 2264.35 2331.26 89.59 o
2 11 1 1711.91 1748.70 93.66 o
3 11 1 4154.75 4068.33 141.52 o
4 11 1 128.98 162.35 45.50 o
-4 12 1 587.08 574.33 67.25 o
-3 12 1 530.76 520.91 57.41 o
-2 12 1 1301.11 1354.62 67.42 o
-1 12 1 5166.77 5217.10 126.81 o
0 12 1 148.26 153.05 20.54 o
1 12 1 5377.15 5479.29 178.17 o
2 12 1 1637.96 1748.45 73.11 o
3 12 1 630.54 663.63 85.00 o
4 12 1 629.19 586.33 69.96 o
-4 13 1 383.86 356.23 60.29 o
-3 13 1 31.30 26.73 35.12 o
-2 13 1 1256.60 1179.49 74.73 o
-1 13 1 2902.24 2863.05 101.43 o
0 13 1 29.96 29.82 23.60 o
1 13 1 3172.90 3113.39 117.98 o
2 13 1 1230.50 1197.11 69.01 o
3 13 1 45.51 67.61 33.38 o
4 13 1 433.35 388.94 62.90 o
-4 14 1 181.32 206.67 75.44 o
-3 14 1 539.62 499.76 62.30 o
-2 14 1 901.19 810.27 57.88 o
-1 14 1 1292.53 1334.43 62.02 o
0 14 1 2949.18 2822.25 119.50 o
1 14 1 1355.26 1320.09 104.46 o
2 14 1 1006.50 966.15 63.77 o
3 14 1 517.95 670.38 59.80 o
4 14 1 188.47 238.44 57.82 o
-3 15 1 982.21 996.05 103.92 o
-2 15 1 922.11 854.41 61.32 o
-1 15 1 289.67 313.07 42.70 o
0 15 1 2946.75 2742.21 150.68 o
1 15 1 335.76 371.46 54.15 o
2 15 1 905.60 955.67 65.00 o
3 15 1 921.70 832.10 79.33 o
4 15 1 92.36 275.03 125.84 o
-3 16 1 184.45 163.10 49.02 o
-2 16 1 470.20 474.58 50.21 o
-1 16 1 555.10 509.72 51.92 o
0 16 1 322.73 347.59 67.91 o
1 16 1 497.22 476.20 69.97 o
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3 16 1 162.41 117.91 48.63 o
-3 17 1 18.83 12.81 52.74 o
-2 17 1 543.28 531.99 64.49 o
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0 17 1 1.30 55.52 51.84 o
1 17 1 804.04 711.29 105.58 o
2 17 1 574.29 461.35 54.45 o
3 17 1 31.84 33.43 46.21 o
-2 18 1 349.26 403.50 81.43 o
-1 18 1 336.14 314.59 93.46 o
0 18 1 685.16 681.23 94.08 o
1 18 1 290.21 238.22 79.51 o
2 18 1 433.38 507.65 89.47 o
-1 19 1 103.72 119.73 62.56 o
0 19 1 628.49 759.03 104.42 o
1 19 1 101.31 20.10 61.99 o
2 19 1 53.20 70.07 96.44 o
0 0 2 824.73 1282.58 69.15 o
1 0 2 35701.19 36257.64 762.92 o
2 0 2 2022.85 2036.84 50.01 o
3 0 2 21294.78 21562.42 426.95 o
4 0 2 3.63 21.04 19.63 o
5 0 2 1554.80 1561.56 108.74 o
6 0 2 9.20 -79.86 79.86 o
-5 1 2 532.21 556.04 73.89 o
-4 1 2 455.02 491.11 33.74 o
-3 1 2 489.25 516.41 26.90 o
-2 1 2 8643.34 8705.95 172.99 o
-1 1 2 15716.06 15753.94 307.29 o
0 1 2 14004.82 14749.61 346.80 o
1 1 2 19172.51 19384.75 368.73 o
2 1 2 8202.32 8271.95 172.54 o
3 1 2 276.30 335.40 23.47 o
4 1 2 571.04 597.59 51.67 o
5 1 2 615.76 637.89 75.20 o
6 1 2 308.73 252.48 110.04 o
-5 2 2 32.30 43.55 56.89 o
-4 2 2 7341.75 7438.78 167.57 o
-3 2 2 403.66 414.34 23.68 o
-2 2 2 28159.36 28525.28 512.94 o
-1 2 2 2094.77 2214.68 45.28 o
0 2 2 61.28 204.99 33.09 o
1 2 2 1994.27 2092.58 60.54 o
2 2 2 28369.72 28469.26 605.23 o
3 2 2 351.49 383.63 27.20 o
4 2 2 7399.43 7407.43 237.31 o
5 2 2 50.83 20.73 43.60 o
-5 3 2 707.06 743.26 70.33 o
-4 3 2 764.73 735.55 50.21 o
-3 3 2 243.67 257.77 20.14 o
-2 3 2 4119.74 4106.06 93.99 o
-1 3 2 37124.25 37349.17 647.13 o
0 3 2 31149.21 31176.78 599.79 o
1 3 2 33302.67 33603.08 977.26 o
2 3 2 4628.61 4606.08 103.86 o
3 3 2 231.73 262.57 23.01 o
4 3 2 613.75 608.22 45.72 o
5 3 2 788.73 884.90 89.01 o
-5 4 2 1394.19 1170.32 105.31 o
-4 4 2 96.57 73.09 27.59 o
-3 4 2 17441.95 17105.05 350.28 o
-2 4 2 452.25 499.36 27.09 o
-1 4 2 10654.38 10581.58 200.44 o
0 4 2 830.15 887.31 26.57 o
1 4 2 11447.26 11333.41 304.98 o
2 4 2 651.26 653.81 24.33 o
3 4 2 18078.11 17765.72 384.36 o
4 4 2 142.47 137.16 33.76 o
5 4 2 1280.68 1367.58 112.20 o
-5 5 2 233.63 267.02 51.47 o
-4 5 2 693.54 662.32 50.67 o
-3 5 2 317.34 355.86 26.32 o
-2 5 2 4058.78 3974.25 94.01 o
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0 5 2 41771.63 43240.24 832.45 o
1 5 2 16840.63 16207.65 461.19 o
2 5 2 4310.58 4275.78 92.37 o
3 5 2 268.32 275.77 26.55 o
4 5 2 516.12 587.85 55.00 o
5 5 2 296.60 296.78 63.60 o
-5 6 2 27.31 6.40 37.13 o
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-1 6 2 273.13 311.30 18.41 o
0 6 2 1484.03 1531.78 40.65 o
1 6 2 592.27 602.52 45.60 o
2 6 2 15513.09 15194.78 375.34 o
3 6 2 1014.15 978.40 53.03 o
4 6 2 4148.54 4225.91 137.68 o
5 6 2 43.06 20.36 45.49 o
-5 7 2 742.25 699.46 73.52 o
-4 7 2 89.48 124.65 37.75 o
-3 7 2 127.29 156.67 30.10 o
-2 7 2 3962.59 3965.46 95.51 o
-1 7 2 19008.25 18813.47 333.25 o
0 7 2 8295.08 7938.37 164.49 o
1 7 2 17106.36 17053.86 390.14 o
2 7 2 4078.72 4058.13 106.11 o
3 7 2 71.81 89.98 24.87 o
4 7 2 92.53 93.61 31.17 o
5 7 2 932.61 1100.23 105.85 o
-5 8 2 450.99 469.25 64.16 o
-4 8 2 314.12 306.64 49.60 o
-3 8 2 5874.58 5896.02 176.39 o
-2 8 2 864.20 904.00 43.84 o
-1 8 2 5209.72 5384.45 114.56 o
0 8 2 138.61 165.09 15.11 o
1 8 2 5934.73 6015.37 134.89 o
2 8 2 785.91 778.01 47.26 o
3 8 2 6100.75 6108.74 173.91 o
4 8 2 292.23 285.56 40.16 o
5 8 2 379.17 524.51 85.51 o
-5 9 2 83.99 58.76 44.34 o
-4 9 2 393.44 398.54 53.17 o
-3 9 2 164.87 179.76 40.59 o
-2 9 2 4205.59 4209.62 118.08 o
-1 9 2 2269.40 2281.07 65.37 o
0 9 2 20243.58 20073.84 398.43 o
1 9 2 2346.32 2416.26 67.33 o
2 9 2 4564.29 4512.46 132.36 o
3 9 2 180.10 179.02 32.03 o
4 9 2 285.30 266.88 47.15 o
5 9 2 48.21 -11.62 49.47 o
-5 10 2 72.81 87.41 48.04 o
-4 10 2 1930.78 1728.77 101.48 o
-3 10 2 1207.87 1135.65 78.01 o
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0 10 2 83.67 75.05 15.49 o
1 10 2 1888.46 1909.88 65.25 o
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4 10 2 1806.00 1992.14 107.24 o
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-3 13 2 137.58 147.73 40.85 o
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0 13 2 10364.26 10151.49 269.90 o
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3 13 2 148.33 119.81 37.03 o
4 13 2 138.97 209.15 55.07 o
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-2 14 2 1284.38 1348.46 73.35 o
-1 14 2 131.44 130.94 40.37 o
0 14 2 0.80 6.98 35.29 o
1 14 2 163.93 183.80 37.71 o
2 14 2 1655.74 1784.97 81.92 o
3 14 2 618.80 550.77 56.94 o
4 14 2 462.39 374.12 65.08 o
-3 15 2 13.00 57.12 40.12 o
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0 16 2 139.94 202.68 56.98 o
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3 16 2 568.59 627.87 63.54 o
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0 17 2 2064.87 2003.98 141.40 o
1 17 2 11.34 42.95 73.08 o
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3 17 2 0.94 -43.02 43.02 o
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0 18 2 0.05 -32.86 50.17 o
1 18 2 184.33 250.12 72.56 o
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