#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:00:21 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181900 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/00/2240035.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_2240035
_cell_angle_alpha                90.000
_cell_angle_beta                 92.982
_cell_angle_gamma                90.000
_cell_length_a                   8.5205
_cell_length_b                   12.0394
_cell_length_c                   31.4321
_exptl_crystal_F_000             1696.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            lh5731Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' TZPNBA'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            989.31
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 21081.76 20796.28 196.45 o
4 0 0 5964.50 5962.54 152.99 o
6 0 0 3256.15 3153.43 140.24 o
8 0 0 1125.17 1240.76 205.05 o
10 0 0 140.40 322.51 163.69 o
3 1 0 100.00 70.74 21.66 o
5 1 0 3406.42 3140.15 139.90 o
7 1 0 324.65 395.71 41.57 o
9 1 0 545.30 809.07 225.31 o
0 2 0 1959.17 2062.39 87.03 o
2 2 0 27206.05 27236.42 220.46 o
4 2 0 8381.75 8334.58 140.61 o
6 2 0 1007.33 1081.33 54.36 o
8 2 0 1471.14 1655.34 196.10 o
10 2 0 26.90 170.69 160.70 o
1 3 0 147.54 136.09 25.95 o
3 3 0 17100.63 15663.22 189.69 o
5 3 0 21447.75 20774.42 321.76 o
7 3 0 719.45 948.68 79.42 o
9 3 0 7805.94 7995.52 508.13 o
0 4 0 995.76 1017.36 95.52 o
2 4 0 1397.65 1538.22 85.85 o
4 4 0 765.82 668.28 66.51 o
6 4 0 256.91 182.89 47.01 o
8 4 0 2446.56 2508.37 170.67 o
10 4 0 0.20 0.76 148.42 o
1 5 0 26.83 121.76 35.80 o
3 5 0 5207.02 5340.60 289.51 o
5 5 0 8705.23 8880.57 236.43 o
7 5 0 993.47 1076.42 145.44 o
9 5 0 593.33 496.32 165.55 o
0 6 0 119268.59 123997.28 1178.38 o
2 6 0 12706.84 12833.53 276.06 o
4 6 0 9545.87 9158.09 246.86 o
6 6 0 5540.14 6077.18 301.83 o
8 6 0 226.63 152.76 72.49 o
1 7 0 4295.99 5041.69 185.57 o
3 7 0 396.08 348.11 112.61 o
5 7 0 541.66 756.68 89.15 o
7 7 0 1571.36 1618.19 159.87 o
9 7 0 144.28 327.40 178.18 o
0 8 0 5072.10 4552.02 270.19 o
2 8 0 1779.92 2023.93 193.45 o
4 8 0 4042.12 4075.85 190.13 o
6 8 0 26.12 119.76 94.03 o
8 8 0 50.13 153.72 93.09 o
1 9 0 151.88 62.66 54.86 o
3 9 0 2656.31 2516.15 235.44 o
5 9 0 4109.36 3948.54 203.96 o
7 9 0 75.81 233.65 131.41 o
0 10 0 783.85 675.63 140.12 o
2 10 0 596.67 652.48 153.17 o
4 10 0 76.94 53.67 97.94 o
6 10 0 68.01 -59.48 111.58 o
1 11 0 198.96 313.86 88.79 o
3 11 0 85.36 183.75 109.80 o
5 11 0 1665.66 2092.26 259.18 o
7 11 0 145.46 142.36 119.16 o
0 12 0 249.75 581.53 156.29 o
2 12 0 83.60 204.76 110.32 o
4 12 0 2372.69 2292.25 280.45 o
6 12 0 2354.22 2591.46 303.17 o
1 13 0 438.28 409.31 160.22 o
3 13 0 221.08 19.60 117.63 o
5 13 0 30.18 -62.33 124.20 o
0 14 0 3156.45 3121.26 323.07 o
2 14 0 10.70 -16.43 114.69 o
-9 1 1 912.38 784.63 136.88 o
-7 1 1 3928.75 3963.06 103.58 o
-5 1 1 6120.43 5816.44 270.27 o
-3 1 1 437.83 431.33 31.53 o
3 1 1 13978.55 14510.06 190.26 o
5 1 1 27506.91 27405.71 263.47 o
7 1 1 11240.39 11659.86 228.85 o
9 1 1 310.48 111.51 197.05 o
-10 2 1 276.76 262.73 152.34 o
-8 2 1 5056.81 5323.50 275.66 o
-6 2 1 463.75 477.87 38.25 o
-4 2 1 8287.71 7960.75 138.46 o
-2 2 1 25437.50 25898.92 343.94 o
0 2 1 1021.24 1045.03 38.31 o
2 2 1 2376.80 2219.13 57.89 o
4 2 1 12426.63 12046.95 278.56 o
6 2 1 9854.32 10236.21 155.97 o
8 2 1 685.77 631.70 81.59 o
10 2 1 680.33 1076.37 253.38 o
-9 3 1 14.70 475.99 190.18 o
-7 3 1 16.01 116.80 46.39 o
-5 3 1 149.03 336.42 69.36 o
-3 3 1 325.18 341.41 35.04 o
-1 3 1 403.68 520.45 55.26 o
1 3 1 427.42 531.16 45.62 o
3 3 1 22.75 31.43 23.15 o
5 3 1 100.41 158.93 40.21 o
7 3 1 629.75 768.98 68.30 o
9 3 1 1.29 375.81 173.17 o
-10 4 1 32.61 27.41 135.09 o
-8 4 1 368.44 391.69 209.63 o
-6 4 1 32.48 18.46 50.38 o
-4 4 1 27535.75 27261.88 419.77 o
-2 4 1 23166.19 23705.20 238.86 o
0 4 1 487.79 644.54 69.97 o
2 4 1 1837.75 1817.26 89.21 o
4 4 1 6825.61 6617.01 177.37 o
6 4 1 3454.09 3346.56 126.43 o
8 4 1 342.52 335.62 78.54 o
10 4 1 1379.50 1428.44 261.08 o
-9 5 1 525.99 715.91 195.11 o
-7 5 1 168.31 146.67 54.92 o
-5 5 1 6696.00 7001.39 215.30 o
-3 5 1 7634.38 8128.84 210.68 o
-1 5 1 15474.63 15762.07 301.95 o
1 5 1 16090.93 15530.77 271.13 o
3 5 1 14528.83 15067.89 277.28 o
5 5 1 701.14 644.00 74.67 o
7 5 1 5735.82 5832.19 251.60 o
9 5 1 108.28 104.71 142.09 o
-8 6 1 252.29 124.62 77.22 o
-6 6 1 169.19 236.97 82.92 o
-4 6 1 2007.63 1897.46 75.84 o
-2 6 1 304.10 366.20 47.32 o
0 6 1 193.17 300.36 68.03 o
2 6 1 1227.08 1295.48 94.12 o
4 6 1 31.18 66.49 56.15 o
6 6 1 341.30 352.35 73.35 o
8 6 1 694.81 806.21 142.94 o
-9 7 1 169.74 535.76 179.22 o
-7 7 1 6975.87 6973.83 295.82 o
-5 7 1 334.94 495.40 82.92 o
-3 7 1 1473.88 1406.92 121.55 o
-1 7 1 1420.01 1672.75 110.71 o
1 7 1 32895.96 31538.98 457.59 o
3 7 1 482.86 661.79 80.12 o
5 7 1 9516.92 9645.63 337.83 o
7 7 1 1265.81 1379.62 145.70 o
9 7 1 10.53 -19.88 138.51 o
-8 8 1 2367.08 2456.81 200.12 o
-6 8 1 701.27 823.19 101.81 o
-4 8 1 1924.41 1862.34 136.56 o
-2 8 1 4899.68 4508.95 155.12 o
0 8 1 367.17 352.54 63.77 o
2 8 1 3285.44 3380.82 244.71 o
4 8 1 1919.58 1893.47 134.59 o
6 8 1 8978.19 7853.44 428.04 o
8 8 1 287.62 424.84 106.69 o
-7 9 1 1.65 23.44 94.45 o
-5 9 1 402.99 440.54 92.09 o
-3 9 1 77.18 183.03 91.19 o
-1 9 1 180.90 209.93 61.93 o
1 9 1 1444.78 1315.91 119.40 o
3 9 1 433.21 576.99 132.21 o
5 9 1 66.46 120.94 120.15 o
7 9 1 1436.41 1439.71 222.11 o
-6 10 1 243.47 241.78 111.03 o
-4 10 1 5005.25 4717.05 229.99 o
-2 10 1 4412.54 4502.45 323.71 o
0 10 1 129.28 123.94 67.69 o
2 10 1 412.60 596.87 141.88 o
4 10 1 115.33 46.84 97.01 o
6 10 1 1202.13 1369.19 202.71 o
-7 11 1 9.14 -56.61 113.46 o
-5 11 1 323.94 357.06 127.51 o
-3 11 1 278.23 419.85 120.07 o
-1 11 1 175.03 251.34 74.70 o
1 11 1 12012.93 10345.52 350.95 o
3 11 1 303.00 253.84 116.81 o
5 11 1 84.96 367.10 145.79 o
7 11 1 242.22 217.02 121.47 o
-6 12 1 383.28 426.16 165.35 o
-4 12 1 1172.44 1097.41 207.25 o
-2 12 1 1650.84 1788.42 231.57 o
0 12 1 150.70 133.15 77.20 o
2 12 1 679.38 641.20 158.25 o
4 12 1 17.87 98.73 125.07 o
6 12 1 5.71 182.68 126.39 o
-5 13 1 37.28 89.97 149.37 o
-3 13 1 1192.18 1178.68 214.10 o
-1 13 1 2592.52 2245.52 190.30 o
1 13 1 3025.54 3293.16 314.39 o
3 13 1 572.12 648.49 174.79 o
5 13 1 2220.80 2344.47 294.78 o
-2 14 1 136.83 211.31 147.05 o
0 14 1 588.40 658.48 190.78 o
2 14 1 49.11 323.94 150.90 o
-10 0 2 46.25 87.47 149.98 o
-8 0 2 4610.34 4458.66 352.74 o
-6 0 2 11152.84 11153.38 408.18 o
-4 0 2 8581.40 8543.59 167.47 o
-2 0 2 3844.82 4138.08 77.72 o
2 0 2 23992.79 24767.63 369.11 o
4 0 2 840.86 995.35 51.98 o
6 0 2 2312.69 2323.42 124.95 o
8 0 2 4021.20 4108.18 336.59 o
10 0 2 220.86 423.02 195.63 o
-9 1 2 138.81 307.87 142.99 o
-7 1 2 8849.41 8799.62 183.42 o
-5 1 2 1436.98 1349.55 134.75 o
-3 1 2 11479.34 11362.48 192.95 o
-1 1 2 1723.87 1868.34 79.98 o
1 1 2 642.14 627.61 48.86 o
3 1 2 29480.62 30675.58 494.04 o
5 1 2 175.34 269.07 49.18 o
7 1 2 5084.52 5179.55 123.18 o
9 1 2 99.04 272.42 162.37 o
-10 2 2 52.43 36.67 148.11 o
-8 2 2 1185.19 1203.57 105.21 o
-6 2 2 506.27 548.23 38.30 o
-4 2 2 990.97 903.97 52.61 o
-2 2 2 38526.38 40934.91 436.25 o
0 2 2 42349.28 45572.47 316.60 o
2 2 2 15652.42 16847.20 144.74 o
4 2 2 3085.86 2938.15 83.19 o
6 2 2 1262.72 1335.17 73.57 o
8 2 2 688.43 756.94 106.01 o
10 2 2 72.35 131.38 136.24 o
-9 3 2 3144.14 2910.15 320.01 o
-7 3 2 5283.30 5910.82 178.66 o
-5 3 2 159.50 132.14 39.97 o
-3 3 2 16190.29 14846.83 168.10 o
-1 3 2 29888.54 29835.32 193.92 o
1 3 2 179.29 290.06 30.97 o
3 3 2 9019.04 9580.28 139.61 o
5 3 2 7272.85 6966.19 180.95 o
7 3 2 1596.07 1529.48 103.76 o
9 3 2 106.50 328.85 161.75 o
-10 4 2 706.80 673.00 188.89 o
-8 4 2 633.30 763.28 120.96 o
-6 4 2 2264.12 2412.86 114.18 o
-4 4 2 34.24 68.62 25.48 o
-2 4 2 40.12 86.60 30.91 o
0 4 2 11421.71 12144.45 266.13 o
2 4 2 8710.03 9070.51 184.42 o
4 4 2 467.32 619.05 63.22 o
6 4 2 3630.13 3600.87 131.44 o
8 4 2 1550.92 1791.94 151.89 o
10 4 2 39.82 103.44 134.71 o
-9 5 2 371.48 875.08 219.77 o
-7 5 2 2128.13 1981.95 116.72 o
-5 5 2 676.13 591.51 73.66 o
-3 5 2 10388.20 9919.65 234.51 o
-1 5 2 9644.83 9076.69 168.64 o
1 5 2 16529.70 17744.13 418.25 o
3 5 2 778.28 715.27 69.28 o
5 5 2 4458.90 4823.99 269.66 o
7 5 2 2508.24 2476.34 172.04 o
9 5 2 173.30 331.54 164.05 o
-8 6 2 4630.54 4806.99 248.98 o
-6 6 2 3972.03 4213.26 188.33 o
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-2 6 2 472.28 634.99 54.47 o
0 6 2 6049.47 5812.12 182.80 o
2 6 2 14846.79 13910.93 429.63 o
4 6 2 1802.69 1821.43 110.74 o
6 6 2 3120.63 3044.16 235.58 o
8 6 2 897.47 1290.35 343.19 o
-9 7 2 6.85 326.13 187.96 o
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-5 7 2 121.97 167.10 59.55 o
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1 7 2 1079.90 1154.70 98.12 o
3 7 2 1535.31 1637.08 118.41 o
5 7 2 911.93 891.11 153.16 o
7 7 2 3.49 110.58 87.36 o
9 7 2 51.44 185.68 98.94 o
-8 8 2 92.82 149.92 80.34 o
-6 8 2 520.80 518.14 83.89 o
-4 8 2 116.95 56.59 68.25 o
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0 8 2 420.34 495.42 74.50 o
2 8 2 12098.90 12214.80 453.58 o
4 8 2 1505.51 1702.41 208.15 o
6 8 2 1525.88 1331.33 184.74 o
8 8 2 388.94 330.75 114.39 o
-7 9 2 1905.12 1639.83 220.87 o
-5 9 2 206.93 252.84 84.17 o
-3 9 2 15983.91 14383.55 371.06 o
-1 9 2 2840.53 2565.87 156.75 o
1 9 2 2188.14 2021.95 143.08 o
3 9 2 3210.82 3342.97 266.88 o
5 9 2 2344.25 2316.91 155.74 o
7 9 2 702.25 695.77 165.48 o
-6 10 2 691.62 735.55 171.00 o
-4 10 2 188.82 177.95 77.19 o
-2 10 2 3.40 39.62 63.05 o
0 10 2 468.21 377.18 78.19 o
2 10 2 15.12 -95.17 93.37 o
4 10 2 349.08 187.20 109.27 o
6 10 2 892.61 942.63 185.61 o
-7 11 2 450.22 542.97 170.93 o
-5 11 2 212.98 257.50 108.99 o
-3 11 2 3427.47 3988.72 329.57 o
-1 11 2 2663.02 2680.61 184.85 o
1 11 2 23.09 49.48 100.67 o
3 11 2 277.49 128.29 105.39 o
5 11 2 1063.68 1265.32 210.27 o
7 11 2 209.56 55.79 106.42 o
-6 12 2 442.84 369.61 168.97 o
-4 12 2 295.33 47.61 129.89 o
-2 12 2 88.00 116.30 101.18 o
0 12 2 601.98 426.62 92.23 o
2 12 2 4022.14 4323.64 353.91 o
4 12 2 27.63 -15.15 112.30 o
6 12 2 600.43 247.21 132.48 o
-5 13 2 41.32 277.41 161.79 o
-3 13 2 3.16 31.75 102.84 o
-1 13 2 180.17 212.52 97.26 o
1 13 2 130.95 231.16 119.83 o
3 13 2 171.01 633.09 189.06 o
5 13 2 29.30 57.83 135.66 o
-2 14 2 24.64 59.72 128.53 o
0 14 2 197.46 79.91 104.28 o
2 14 2 1503.60 1422.38 239.35 o
-9 1 3 2062.45 2391.77 203.61 o
-7 1 3 3566.66 3462.41 116.86 o
-5 1 3 25146.35 23517.60 211.13 o
-3 1 3 3024.49 3075.88 147.80 o
-1 1 3 1041.80 1031.95 44.13 o
1 1 3 218.25 273.59 29.32 o
3 1 3 72509.13 72852.61 511.19 o
5 1 3 1931.50 1877.51 97.66 o
7 1 3 10296.05 10753.49 175.89 o
9 1 3 3568.64 3897.17 252.95 o
-10 2 3 882.50 1133.73 246.25 o
-8 2 3 494.19 684.11 94.11 o
-6 2 3 1743.16 1790.99 75.13 o
-4 2 3 378.86 419.50 43.37 o
-2 2 3 302066.44 311847.13 651.30 o
0 2 3 164242.14 172962.05 2563.51 o
2 2 3 1403.84 1552.12 42.74 o
4 2 3 5371.11 5071.18 114.59 o
6 2 3 1807.38 1786.10 81.86 o
8 2 3 174.43 169.76 74.30 o
10 2 3 30.86 385.63 203.95 o
-9 3 3 46.03 293.49 160.85 o
-7 3 3 435.26 526.67 67.51 o
-5 3 3 328.58 350.15 52.20 o
-3 3 3 8.84 16.06 18.15 o
-1 3 3 595.70 706.03 34.75 o
1 3 3 165.36 128.47 66.63 o
3 3 3 2821.25 2881.58 75.18 o
5 3 3 3958.21 4390.86 186.79 o
7 3 3 33.32 80.87 56.22 o
9 3 3 57.34 280.58 153.70 o
-10 4 3 24.15 151.82 146.62 o
-8 4 3 2517.15 2784.41 175.45 o
-6 4 3 6598.59 6576.34 185.14 o
-4 4 3 289.68 327.07 33.72 o
-2 4 3 73078.33 76208.80 355.89 o
0 4 3 82986.84 86060.93 467.52 o
2 4 3 10678.99 10664.56 213.75 o
4 4 3 24575.54 25124.23 384.45 o
6 4 3 6712.50 6932.62 257.17 o
8 4 3 41.85 132.58 68.18 o
10 4 3 213.47 -54.92 143.90 o
-9 5 3 1538.46 1558.79 250.19 o
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-5 5 3 2610.84 2382.76 132.81 o
-3 5 3 970.81 1215.82 61.07 o
-1 5 3 248.84 234.81 43.94 o
1 5 3 891.23 832.76 107.07 o
3 5 3 5560.02 5179.80 159.31 o
5 5 3 357.37 402.84 58.58 o
7 5 3 6878.44 6540.34 326.24 o
9 5 3 1912.43 2112.81 295.38 o
-8 6 3 1377.63 1438.82 145.27 o
-6 6 3 446.99 594.46 85.09 o
-4 6 3 2058.08 2031.23 85.87 o
-2 6 3 55.71 82.77 31.77 o
0 6 3 218.13 288.11 58.33 o
2 6 3 4995.82 5253.84 261.70 o
4 6 3 1208.08 1209.59 91.27 o
6 6 3 5686.99 5286.01 318.02 o
8 6 3 34.55 -40.14 123.96 o
-9 7 3 153.11 298.32 176.11 o
-7 7 3 4313.14 4332.57 309.70 o
-5 7 3 11559.25 11145.53 306.05 o
-3 7 3 197.41 124.91 52.81 o
-1 7 3 5.01 12.87 34.66 o
1 7 3 2095.49 2285.05 179.15 o
3 7 3 19872.34 20361.94 568.51 o
5 7 3 4557.21 4889.44 316.15 o
7 7 3 1233.29 1541.99 154.32 o
9 7 3 2367.02 2583.21 213.69 o
-8 8 3 81.93 -0.12 183.96 o
-6 8 3 146.45 265.28 75.38 o
-4 8 3 32.20 80.52 60.70 o
-2 8 3 15497.49 15876.45 288.09 o
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2 8 3 2276.29 1945.72 194.36 o
4 8 3 1154.28 933.01 153.48 o
6 8 3 1034.60 873.73 164.59 o
8 8 3 2.34 -14.17 75.07 o
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-5 9 3 103.73 133.10 102.48 o
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-2 12 3 443.54 400.24 138.84 o
0 12 3 270.29 219.62 84.49 o
2 12 3 1129.10 1116.83 194.74 o
4 12 3 1083.32 1144.46 202.62 o
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-5 13 3 294.04 458.15 175.38 o
-3 13 3 112.70 222.12 138.06 o
-1 13 3 76.46 263.10 95.65 o
1 13 3 220.68 99.02 118.21 o
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-2 14 3 245.64 292.85 146.11 o
0 14 3 207.67 338.77 150.02 o
2 14 3 626.55 641.02 186.01 o
-10 0 4 1635.93 2061.77 294.12 o
-8 0 4 379.78 638.04 181.23 o
-6 0 4 991.89 1013.27 118.04 o
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-2 0 4 26618.04 28314.15 471.13 o
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6 0 4 7931.56 8143.29 240.38 o
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10 0 4 2235.15 2667.08 336.95 o
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-5 1 4 4133.40 3914.74 166.82 o
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1 1 4 17457.47 18976.89 183.78 o
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5 1 4 29778.76 31498.39 371.07 o
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9 1 4 133.80 269.20 108.53 o
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