#------------------------------------------------------------------------------
#$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/92/1529237.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_1529237
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   12.9503
_cell_length_b                   12.9503
_cell_length_c                   32.0771
_exptl_crystal_F_000             2628.00
_reflns_d_resolution_high        0.8202
_cod_data_source_file            PbDETBA2.fcf
_cod_data_source_block           f
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Pb(DETBA)2 in R-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            868.47
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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 250630.92 253671.66 2075.39 o
0 3 0 214391.11 209480.69 1760.96 o
-2 4 0 199750.95 196790.94 1673.21 o
-4 5 0 456094.25 458685.75 3788.27 o
-1 5 0 249479.67 251198.78 2236.71 o
-3 6 0 249256.80 249395.44 2137.38 o
0 6 0 213081.14 210878.97 1939.49 o
-5 7 0 251426.14 251185.98 2339.00 o
-2 7 0 240943.50 244691.45 2123.60 o
-7 8 0 112052.54 110354.23 1150.90 o
-4 8 0 147913.03 145700.70 1495.39 o
-1 8 0 93366.28 92449.14 1078.99 o
-6 9 0 107665.96 108838.56 1143.70 o
-3 9 0 160403.52 159339.20 1756.73 o
0 9 0 54462.61 54974.98 953.54 o
-8 10 0 58437.69 57813.43 914.13 o
-5 10 0 93484.59 92310.87 1057.80 o
-2 10 0 93534.62 92855.80 1273.88 o
-10 11 0 90699.94 90678.48 1377.51 o
-7 11 0 71392.41 69535.64 1117.70 o
-4 11 0 83646.41 79861.10 1238.58 o
-1 11 0 57269.61 57808.91 1046.17 o
-9 12 0 62055.79 61375.68 1051.60 o
-6 12 0 53611.75 53655.12 995.98 o
-3 12 0 36880.86 36714.93 903.48 o
0 12 0 22883.22 23757.91 1060.77 o
-11 13 0 29451.73 31000.84 1208.28 o
-8 13 0 27172.48 27935.12 1075.14 o
-5 13 0 42388.52 43091.07 1848.73 o
-2 13 0 22271.91 23792.96 968.58 o
-13 14 0 19496.37 17948.77 1046.41 o
-10 14 0 28488.78 28283.08 1162.76 o
-7 14 0 22304.35 23111.32 1216.49 o
-4 14 0 22910.36 23142.87 1005.68 o
-1 14 0 17727.21 17017.26 1090.85 o
-9 15 0 17600.46 16987.34 961.27 o
-6 15 0 21025.44 19608.85 1215.46 o
-3 2 1 282.61 375.97 129.30 o
0 2 1 65701.40 63699.23 579.34 o
-5 3 1 4247.84 4915.77 228.60 o
-2 3 1 275.48 383.61 116.72 o
1 3 1 15623.21 15182.21 277.33 o
-7 4 1 72897.90 76019.66 775.72 o
-4 4 1 2034.63 2231.75 151.89 o
-1 4 1 57703.66 58824.53 594.78 o
2 4 1 13361.55 13982.72 299.77 o
-9 5 1 183.88 410.36 235.99 o
-6 5 1 1241.79 917.74 194.18 o
-3 5 1 13838.58 13708.54 284.95 o
0 5 1 20162.19 20680.26 344.64 o
3 5 1 1706.51 2040.55 194.48 o
-11 6 1 1129.35 1290.80 320.79 o
-8 6 1 11525.25 12166.99 363.54 o
-5 6 1 10294.11 10576.55 310.13 o
-2 6 1 7339.19 7268.34 226.99 o
1 6 1 3240.77 3972.83 245.55 o
4 6 1 250.62 474.62 206.24 o
-13 7 1 3806.72 4307.96 462.55 o
-10 7 1 4750.83 5205.56 351.60 o
-7 7 1 10827.34 12291.04 383.96 o
-4 7 1 20010.61 21858.05 395.66 o
-1 7 1 3256.41 3615.36 218.71 o
2 7 1 141.89 -21.07 198.06 o
5 7 1 8717.59 8717.68 416.86 o
-15 8 1 947.58 1403.20 665.95 o
-12 8 1 2808.91 2799.73 368.60 o
-9 8 1 2931.29 3362.17 313.83 o
-6 8 1 3900.34 4733.45 231.96 o
-3 8 1 1162.85 1303.59 198.54 o
0 8 1 10759.43 10562.47 384.67 o
3 8 1 2060.95 2169.76 259.11 o
6 8 1 2423.42 1718.10 562.52 o
-14 9 1 373.35 484.01 601.60 o
-11 9 1 398.10 -93.87 318.29 o
-8 9 1 164.74 240.17 255.32 o
-5 9 1 6364.73 6860.53 279.43 o
-2 9 1 9513.77 10653.09 425.34 o
1 9 1 11061.51 10852.38 426.09 o
4 9 1 3267.23 3298.63 583.78 o
-13 10 1 2723.44 3351.25 486.09 o
-10 10 1 1439.70 2107.56 348.81 o
-7 10 1 9776.82 10528.65 377.18 o
-4 10 1 3122.98 3319.98 239.38 o
-1 10 1 647.90 769.78 362.16 o
2 10 1 2757.66 2749.10 478.14 o
5 10 1 1138.45 150.66 555.45 o
-15 11 1 388.81 437.79 940.94 o
-12 11 1 3077.57 4142.85 526.95 o
-9 11 1 13468.64 13522.50 451.58 o
-6 11 1 2693.27 2645.25 263.61 o
-3 11 1 7003.50 7646.14 447.06 o
0 11 1 117.46 -362.23 362.23 o
3 11 1 175.55 195.50 543.10 o
-14 12 1 1050.15 1295.50 549.75 o
-11 12 1 4786.12 4494.67 614.50 o
-8 12 1 95.27 -35.32 294.90 o
-5 12 1 990.79 1293.01 409.30 o
-2 12 1 566.71 1572.00 435.02 o
1 12 1 2816.21 3518.71 634.06 o
-13 13 1 154.68 -518.48 518.48 o
-10 13 1 1138.31 1033.85 522.17 o
-7 13 1 548.43 204.57 474.92 o
-4 13 1 3583.13 3515.18 495.72 o
-1 13 1 854.53 283.70 540.29 o
-12 14 1 51.24 -101.52 925.39 o
-9 14 1 793.26 1070.34 540.58 o
-6 14 1 3294.67 2403.38 791.85 o
-3 14 1 1645.17 1855.86 510.64 o
-11 15 1 1576.34 2049.53 620.32 o
-8 15 1 467.19 65.45 546.50 o
-5 15 1 1234.55 1833.08 570.55 o
0 1 2 74482.44 73290.85 630.00 o
-2 2 2 1515.47 1488.04 145.66 o
1 2 2 33500.57 34736.09 399.90 o
-4 3 2 470.77 516.92 149.92 o
-1 3 2 77889.12 74868.93 698.69 o
2 3 2 36859.94 38053.10 543.01 o
-6 4 2 2341.96 2596.57 200.05 o
-3 4 2 27702.89 28005.30 360.90 o
0 4 2 21886.58 22647.64 344.41 o
3 4 2 16327.17 16000.66 353.05 o
-8 5 2 4091.21 4994.01 263.08 o
-5 5 2 26076.23 26846.32 469.56 o
-2 5 2 540.23 432.61 150.66 o
1 5 2 42877.94 42222.37 543.74 o
4 5 2 3462.24 3851.83 220.02 o
-10 6 2 15650.46 16320.73 578.74 o
-7 6 2 2813.62 3005.71 225.69 o
-4 6 2 54232.83 55149.39 608.95 o
-1 6 2 37171.85 40231.43 506.81 o
2 6 2 14219.40 14641.04 347.77 o
5 6 2 6444.42 6721.10 414.68 o
-12 7 2 2288.08 2262.42 353.37 o
-9 7 2 10655.43 11467.30 423.26 o
-6 7 2 18531.25 18074.46 390.34 o
-3 7 2 5617.15 5899.22 247.02 o
0 7 2 11651.45 12838.59 320.69 o
3 7 2 1379.24 1790.25 240.17 o
6 7 2 78.34 458.47 411.92 o
-14 8 2 421.71 322.20 659.76 o
-11 8 2 5923.62 6880.60 467.46 o
-8 8 2 3843.66 4219.44 411.92 o
-5 8 2 6039.39 6698.93 255.40 o
-2 8 2 373.57 489.92 161.11 o
1 8 2 869.11 860.44 213.67 o
4 8 2 6864.23 7723.76 505.51 o
7 8 2 1264.17 1406.37 570.30 o
-13 9 2 175.64 -421.56 421.56 o
-10 9 2 8163.57 8104.02 498.88 o
-7 9 2 6662.88 6435.10 302.58 o
-4 9 2 7550.69 8295.69 293.29 o
-1 9 2 2060.21 1857.19 226.20 o
2 9 2 3071.10 3016.83 285.62 o
5 9 2 2795.86 2680.84 605.69 o
-15 10 2 966.37 1052.39 518.61 o
-12 10 2 1208.45 351.52 420.11 o
-9 10 2 2385.49 2810.59 337.28 o
-6 10 2 4555.43 4983.18 285.62 o
-3 10 2 12332.16 12427.56 430.87 o
0 10 2 268.17 -260.24 302.20 o
3 10 2 3084.67 3145.99 596.76 o
-14 11 2 699.25 659.60 440.89 o
-11 11 2 404.51 538.40 334.21 o
-8 11 2 3756.04 4245.74 321.16 o
-5 11 2 6013.21 6157.74 379.83 o
-2 11 2 8655.63 8455.72 474.42 o
1 11 2 2243.35 2074.07 566.28 o
4 11 2 220.44 -140.58 560.40 o
-13 12 2 673.75 148.82 501.51 o
-10 12 2 7829.59 8062.33 541.94 o
-7 12 2 1423.94 1557.20 273.89 o
-4 12 2 8695.33 8393.91 477.53 o
-1 12 2 2172.06 1396.01 476.98 o
2 12 2 268.08 4.72 704.77 o
-12 13 2 520.32 -220.37 533.97 o
-9 13 2 427.85 425.48 497.35 o
-6 13 2 1066.71 1277.48 446.39 o
-3 13 2 83.23 -140.81 442.64 o
0 13 2 2669.17 2675.35 623.47 o
-11 14 2 1525.22 2105.39 598.74 o
-8 14 2 875.25 -36.85 530.11 o
-5 14 2 235.09 -197.67 511.90 o
-2 14 2 1178.07 394.33 951.94 o
-10 15 2 90.47 -215.79 641.44 o
-7 15 2 611.57 1317.36 564.04 o
-4 15 2 639.41 28.25 601.60 o
0 0 3 754234.31 690661.50 17457.64 o
1 1 3 516070.62 513807.19 4808.96 o
-1 2 3 44885.76 44976.68 441.09 o
2 2 3 317965.97 318216.62 2906.03 o
-3 3 3 249777.38 244048.86 2529.70 o
0 3 3 203510.05 199327.50 1692.77 o
3 3 3 151391.41 153130.42 1521.15 o
-5 4 3 193865.86 192710.64 2094.64 o
-2 4 3 153979.44 153382.45 1338.80 o
1 4 3 71595.93 70535.76 746.48 o
4 4 3 138099.12 141266.12 1474.74 o
-7 5 3 118859.85 120209.65 1267.67 o
-4 5 3 66077.47 65534.32 701.70 o
-1 5 3 179014.89 176561.88 1555.45 o
2 5 3 65997.82 65847.69 718.02 o
5 5 3 75269.65 74330.10 1130.65 o
-9 6 3 77819.41 77840.05 1063.85 o
-6 6 3 54637.69 54428.19 692.30 o
-3 6 3 134957.89 134907.66 1238.53 o
0 6 3 80228.53 79143.91 821.08 o
3 6 3 104514.33 104513.74 1114.88 o
6 6 3 30950.23 31597.76 849.43 o
-11 7 3 18761.61 19196.60 782.21 o
-8 7 3 79849.95 78943.73 1025.57 o
-5 7 3 105299.23 105294.25 1025.46 o
-2 7 3 300155.69 303895.88 2853.73 o
1 7 3 46129.65 45502.84 599.68 o
4 7 3 50719.21 49658.16 762.87 o
7 7 3 13691.81 14295.95 817.11 o
-13 8 3 23043.44 21785.86 832.96 o
-10 8 3 37481.96 38669.78 875.28 o
-7 8 3 110060.34 109240.73 1215.50 o
-4 8 3 120537.77 121466.81 1485.69 o
-1 8 3 72771.77 73525.00 818.68 o
2 8 3 59680.20 57469.23 795.09 o
5 8 3 17261.79 18423.96 909.88 o
-15 9 3 16389.60 15361.85 861.04 o
-12 9 3 28294.42 29159.60 774.40 o
-9 9 3 81525.70 79984.23 1195.43 o
-6 9 3 91776.30 93327.77 1238.81 o
-3 9 3 79996.34 79325.99 908.09 o
0 9 3 23761.80 24661.39 544.88 o
3 9 3 13004.84 13497.16 609.08 o
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-2 10 3 38538.91 38293.93 624.61 o
1 10 3 34165.80 34882.09 720.50 o
4 10 3 20509.65 22753.63 1063.49 o
-13 11 3 15878.69 16488.79 766.93 o
-10 11 3 29080.93 28391.94 729.01 o
-7 11 3 30634.85 28851.23 595.23 o
-4 11 3 32355.75 31535.75 601.73 o
-1 11 3 61278.55 61683.62 1215.69 o
2 11 3 18436.58 19350.07 999.79 o
-12 12 3 15965.64 16503.86 1251.21 o
-9 12 3 36238.46 36635.29 829.48 o
-6 12 3 35316.47 35160.12 733.29 o
-3 12 3 20178.43 21255.66 760.06 o
0 12 3 15806.64 17401.82 1294.11 o
-14 13 3 8572.79 9214.68 1021.33 o
-11 13 3 15694.33 14923.46 881.33 o
-8 13 3 21010.97 20673.56 946.20 o
-5 13 3 26864.77 27224.98 940.66 o
-2 13 3 18007.30 17596.44 832.39 o
1 13 3 10493.13 8566.04 880.45 o
-13 14 3 15511.43 15038.36 942.86 o
-10 14 3 14617.00 14520.30 886.56 o
-7 14 3 23717.02 22714.95 1039.64 o
-4 14 3 12713.37 13118.85 1274.71 o
-1 14 3 10202.30 9807.19 828.07 o
-9 15 3 9964.39 11016.81 824.64 o
-6 15 3 10946.08 10031.55 795.53 o
-1 1 4 179726.61 176638.62 1609.35 o
-3 2 4 638339.31 631035.06 6737.43 o
0 2 4 211495.56 205935.23 1728.25 o
-5 3 4 82140.00 78785.45 967.27 o
-2 3 4 42444.34 39624.93 590.28 o
1 3 4 255888.02 258100.84 2175.97 o
-7 4 4 109670.66 113008.76 1263.51 o
-4 4 4 87682.95 83746.24 1144.64 o
-1 4 4 135248.19 133161.77 1193.27 o
2 4 4 201164.98 206239.17 2025.06 o
-9 5 4 45645.19 45062.90 703.12 o
-6 5 4 83513.95 86119.84 1108.21 o
-3 5 4 80941.46 77943.34 771.25 o
0 5 4 211874.78 214657.67 1870.97 o
3 5 4 66799.93 67712.08 794.88 o
-11 6 4 38441.60 37130.71 780.51 o
-8 6 4 35681.54 35208.20 563.41 o
-5 6 4 163600.69 162112.89 1614.13 o
-2 6 4 181586.33 185495.62 1649.91 o
1 6 4 77493.41 74756.59 1282.11 o
4 6 4 57473.51 58074.75 976.26 o
-13 7 4 16735.57 15608.08 681.58 o
-10 7 4 66796.04 64942.59 975.44 o
-7 7 4 118354.83 119714.86 1289.03 o
-4 7 4 167810.11 171067.23 1550.07 o
-1 7 4 77397.63 77313.83 828.33 o
2 7 4 38198.74 37759.11 581.63 o
5 7 4 37722.80 36354.24 823.71 o
-15 8 4 10623.79 12066.95 784.96 o
-12 8 4 28204.61 27226.16 787.88 o
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-6 8 4 80565.58 80089.64 848.79 o
-3 8 4 59410.18 61215.77 715.62 o
0 8 4 36707.55 37387.39 580.02 o
3 8 4 37654.10 36755.22 788.65 o
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-14 9 4 14867.53 14416.52 733.42 o
-11 9 4 20938.70 23443.75 747.92 o
-8 9 4 68776.64 68889.11 1064.20 o
-5 9 4 31875.32 31247.39 549.43 o
-2 9 4 56057.65 56561.06 773.24 o
1 9 4 37627.44 37626.57 679.74 o
4 9 4 13408.86 14813.03 878.40 o
-13 10 4 15276.34 15281.96 703.85 o
-10 10 4 19879.53 20592.45 618.04 o
-7 10 4 16350.22 17324.81 490.46 o
-4 10 4 54625.89 54537.65 775.17 o
-1 10 4 32138.78 32272.06 689.13 o
2 10 4 42274.83 42236.08 1296.24 o
5 10 4 12474.74 12613.45 1304.33 o
-15 11 4 10999.67 10403.34 1080.60 o
-12 11 4 13039.69 13023.45 817.05 o
-9 11 4 67341.08 68237.10 1123.21 o
-6 11 4 32327.29 31445.45 629.09 o
-3 11 4 53168.12 54099.47 1020.78 o
0 11 4 18773.88 19808.58 750.80 o
3 11 4 8370.82 8780.01 901.90 o
-14 12 4 13021.28 12092.69 1102.86 o
-11 12 4 19225.38 21736.29 877.87 o
-8 12 4 25432.31 25059.04 616.74 o
-5 12 4 34317.52 34285.12 943.82 o
-2 12 4 27437.33 27886.08 977.79 o
1 12 4 13293.44 13813.57 897.94 o
-13 13 4 12759.05 13321.73 1189.84 o
-10 13 4 17674.90 19938.15 1149.07 o
-7 13 4 22397.00 23295.04 1496.16 o
-4 13 4 18802.88 20238.14 860.35 o
-1 13 4 11748.06 11600.50 854.93 o
-12 14 4 6442.74 5675.36 701.06 o
-9 14 4 17534.54 17657.92 936.65 o
-6 14 4 13023.24 15052.08 879.51 o
-3 14 4 10189.27 10986.85 940.41 o
-11 15 4 7434.77 8464.72 882.49 o
-8 15 4 9160.08 9145.85 774.98 o
-5 15 4 8113.91 7014.64 972.37 o
0 1 5 2289.61 2439.17 131.83 o
-2 2 5 135959.19 135510.61 1282.82 o
1 2 5 155990.95 152881.84 1495.40 o
-4 3 5 69966.69 71246.51 908.32 o
-1 3 5 3706.51 3517.40 174.49 o
2 3 5 44647.66 44362.89 573.26 o
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-3 4 5 11605.18 11757.64 292.85 o
0 4 5 11060.39 11375.84 268.08 o
3 4 5 19156.12 20467.80 424.29 o
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-2 5 5 10947.19 12044.44 280.46 o
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3 7 5 14846.21 14697.65 631.19 o
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-11 8 5 1012.95 1332.05 584.04 o
-8 8 5 19765.78 19586.52 496.06 o
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1 8 5 4652.58 4947.25 301.51 o
4 8 5 708.54 74.93 328.75 o
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-13 9 5 1157.75 1663.34 582.01 o
-10 9 5 6167.93 6002.50 438.15 o
-7 9 5 4379.86 4805.67 320.95 o
-4 9 5 8984.72 9196.59 362.19 o
-1 9 5 2352.14 2731.52 277.16 o
2 9 5 659.05 416.69 290.20 o
5 9 5 5230.15 4989.69 651.88 o
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-14 11 5 1740.66 3137.90 779.64 o
-11 11 5 391.40 947.10 338.62 o
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-5 11 5 1841.12 1319.95 272.49 o
-2 11 5 1959.03 1987.41 281.65 o
1 11 5 4222.96 4236.67 622.59 o
4 11 5 1549.03 1470.55 604.71 o
-13 12 5 1255.05 886.64 707.26 o
-10 12 5 1637.41 1407.90 399.86 o
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