#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:42:43 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181874 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/04/2020445.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_2020445
_cell_angle_alpha                90.000
_cell_angle_beta                 101.644
_cell_angle_gamma                90.000
_cell_length_a                   7.6227
_cell_length_b                   13.9464
_cell_length_c                   16.0161
_exptl_crystal_F_000             1296.00
_reflns_d_resolution_high        0.6999
_cod_data_source_file            lg3186Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' bv199 in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            405.58
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0 589.46 618.83 29.79 o
4 0 0 7.06 -10.69 25.21 o
6 0 0 19326.03 19407.56 374.40 o
8 0 0 6077.68 5920.19 151.69 o
10 0 0 4499.34 4655.29 243.21 o
1 1 0 2554.25 2462.08 60.13 o
2 1 0 32409.68 32562.30 412.00 o
3 1 0 3334.93 3390.89 64.60 o
4 1 0 9338.88 9127.59 122.30 o
5 1 0 121.60 129.91 23.09 o
6 1 0 4462.08 4531.58 83.44 o
7 1 0 8217.49 8160.75 130.25 o
8 1 0 5158.98 5111.06 97.35 o
9 1 0 2112.15 2190.35 70.83 o
10 1 0 621.68 678.08 133.63 o
0 2 0 22870.47 22536.55 621.19 o
1 2 0 4451.93 4654.59 65.74 o
2 2 0 72773.03 71634.44 3842.06 o
3 2 0 3327.99 3434.82 66.85 o
4 2 0 21899.34 21488.08 264.10 o
5 2 0 62480.75 63026.03 800.21 o
6 2 0 5870.09 5909.96 99.60 o
7 2 0 9583.48 9356.71 145.13 o
8 2 0 5697.59 5716.76 104.64 o
9 2 0 1173.39 1270.76 52.47 o
10 2 0 825.34 987.71 122.04 o
1 3 0 952.78 1025.96 28.12 o
2 3 0 89651.16 88505.60 4213.93 o
3 3 0 22828.95 23427.11 303.50 o
4 3 0 2523.23 2534.49 50.75 o
5 3 0 1263.94 1278.49 42.43 o
6 3 0 2580.21 2512.75 59.37 o
7 3 0 4776.11 4735.36 88.77 o
8 3 0 626.43 693.13 39.15 o
9 3 0 441.97 434.38 42.02 o
10 3 0 731.14 875.30 134.95 o
0 4 0 35879.73 38089.07 779.89 o
1 4 0 1619.99 1567.02 31.77 o
2 4 0 15994.64 15908.87 219.83 o
4 4 0 606.62 710.30 31.82 o
5 4 0 2099.51 2109.16 64.35 o
6 4 0 11865.51 11874.54 180.98 o
7 4 0 2850.96 2887.14 72.27 o
8 4 0 799.04 817.45 45.98 o
9 4 0 9361.78 9632.68 166.40 o
10 4 0 2280.75 2107.68 162.48 o
1 5 0 90.33 107.44 15.37 o
2 5 0 33794.90 33565.88 445.25 o
3 5 0 996.16 1193.31 38.68 o
4 5 0 10533.73 10301.98 148.58 o
5 5 0 339.63 416.66 30.22 o
6 5 0 1087.55 1226.90 47.64 o
7 5 0 3398.44 3427.33 79.10 o
8 5 0 50.83 53.84 28.80 o
9 5 0 7429.37 7398.32 201.06 o
10 5 0 9011.34 8979.51 342.34 o
0 6 0 11140.16 11767.36 187.55 o
1 6 0 62500.23 63586.13 906.69 o
2 6 0 49642.43 51000.24 734.31 o
3 6 0 6291.12 6374.50 99.17 o
4 6 0 5884.52 5831.97 95.33 o
5 6 0 143.06 134.45 25.78 o
6 6 0 20.88 37.22 25.22 o
7 6 0 144.70 154.59 30.23 o
8 6 0 4118.71 4198.51 92.96 o
9 6 0 555.77 601.31 71.46 o
10 6 0 14.51 -60.23 76.19 o
1 7 0 16204.70 17396.57 230.80 o
2 7 0 1.40 -2.57 19.41 o
3 7 0 18960.94 18840.55 252.65 o
4 7 0 38236.09 38048.77 494.10 o
5 7 0 29195.98 29192.22 387.93 o
6 7 0 1720.00 1760.27 56.25 o
7 7 0 3369.80 3208.73 77.69 o
8 7 0 6920.69 6893.77 145.45 o
9 7 0 121.72 173.18 55.52 o
0 8 0 19328.97 19306.88 325.98 o
1 8 0 4184.51 4015.27 60.04 o
2 8 0 210.10 271.94 24.23 o
3 8 0 3.35 3.78 20.82 o
4 8 0 20414.67 20370.46 276.22 o
5 8 0 184.45 192.34 27.19 o
6 8 0 39884.34 39548.57 539.31 o
7 8 0 597.42 662.98 41.08 o
8 8 0 634.50 666.90 43.72 o
9 8 0 385.35 395.92 65.13 o
1 9 0 59899.29 61155.40 750.05 o
2 9 0 870.50 966.84 37.62 o
3 9 0 5015.67 4951.17 92.38 o
4 9 0 540.02 640.81 39.35 o
5 9 0 5331.37 5371.31 118.97 o
6 9 0 2000.12 2120.24 62.88 o
7 9 0 7648.72 7507.68 137.59 o
8 9 0 3442.44 3464.13 99.48 o
9 9 0 1697.99 1743.22 134.02 o
0 10 0 1076.29 1343.58 64.49 o
1 10 0 41988.93 42943.34 515.11 o
2 10 0 809.65 839.07 46.23 o
3 10 0 5831.72 5908.19 111.89 o
4 10 0 2473.06 2346.97 64.01 o
5 10 0 569.26 528.59 39.02 o
6 10 0 0.26 29.10 29.71 o
7 10 0 4528.13 4354.47 114.60 o
8 10 0 900.18 859.56 88.01 o
9 10 0 1416.60 1518.18 99.73 o
1 11 0 35576.68 35797.18 435.19 o
2 11 0 2603.97 2710.34 81.35 o
3 11 0 3144.94 3155.57 73.61 o
4 11 0 10681.35 10927.13 193.21 o
5 11 0 362.71 410.62 37.07 o
6 11 0 1133.19 1214.57 57.66 o
7 11 0 4533.14 4427.89 116.18 o
8 11 0 8418.42 8424.58 208.18 o
0 12 0 165.99 232.28 34.58 o
1 12 0 10941.70 10605.90 146.54 o
2 12 0 75.52 55.43 25.92 o
3 12 0 3376.04 3343.54 78.00 o
4 12 0 6289.21 6202.56 117.14 o
5 12 0 1558.23 1583.54 61.77 o
6 12 0 4595.55 4374.90 105.17 o
7 12 0 7328.03 7795.53 281.21 o
8 12 0 43.97 80.94 51.09 o
1 13 0 544.72 561.52 31.49 o
2 13 0 9402.95 8847.92 160.96 o
3 13 0 8769.85 8615.50 170.18 o
4 13 0 24751.77 24074.49 342.11 o
5 13 0 6006.31 5769.88 119.37 o
6 13 0 403.64 451.24 45.15 o
7 13 0 254.45 361.36 53.24 o
8 13 0 2696.88 2662.77 121.37 o
0 14 0 1071.76 1346.17 75.69 o
1 14 0 9689.53 9787.41 143.71 o
2 14 0 8010.11 8006.43 136.59 o
3 14 0 3275.86 3347.08 81.79 o
4 14 0 307.14 326.39 34.76 o
5 14 0 2602.44 2534.18 73.79 o
6 14 0 3512.10 3570.63 124.26 o
7 14 0 2188.65 2096.78 108.92 o
1 15 0 3804.53 3680.27 70.83 o
2 15 0 15472.99 15476.79 233.50 o
3 15 0 558.20 642.36 43.15 o
4 15 0 3930.62 3779.79 94.56 o
5 15 0 605.62 723.03 63.91 o
6 15 0 239.83 150.31 48.21 o
7 15 0 40.01 108.28 51.16 o
0 16 0 1647.46 1689.44 84.58 o
1 16 0 1332.72 1387.60 46.87 o
2 16 0 8229.57 8082.55 141.47 o
3 16 0 7536.67 7218.36 135.78 o
4 16 0 2049.99 1873.59 88.53 o
5 16 0 600.00 411.62 56.26 o
6 16 0 2386.05 2281.41 112.10 o
1 17 0 1673.34 1707.38 52.71 o
2 17 0 4179.96 4319.45 106.13 o
3 17 0 5446.84 5185.44 162.92 o
4 17 0 645.80 794.91 75.35 o
5 17 0 4447.14 4124.89 157.01 o
0 18 0 6397.88 6349.50 250.66 o
1 18 0 7.47 44.13 30.65 o
2 18 0 2514.95 2747.84 118.57 o
3 18 0 1121.66 1172.48 82.38 o
4 18 0 249.64 247.99 100.91 o
1 19 0 231.15 264.23 42.46 o
2 19 0 476.30 484.50 80.59 o
3 19 0 290.58 264.54 64.04 o
-9 0 1 512.13 597.53 64.68 o
-7 0 1 3106.63 3131.38 97.82 o
-5 0 1 4300.29 4219.80 104.66 o
-3 0 1 479.67 414.93 29.31 o
1 0 1 3667.85 3514.58 97.08 o
3 0 1 10750.65 10596.96 232.17 o
5 0 1 64136.84 64126.84 1153.74 o
7 0 1 9548.45 9253.81 205.77 o
9 0 1 49.45 37.60 41.50 o
-10 1 1 194.63 120.77 104.84 o
-9 1 1 6318.07 6478.54 122.31 o
-8 1 1 22487.23 21900.36 314.82 o
-7 1 1 17920.48 17766.53 246.88 o
-6 1 1 36691.45 36826.75 478.24 o
-5 1 1 4258.24 4181.36 73.63 o
-4 1 1 747.55 912.92 30.42 o
-3 1 1 1923.29 1947.34 40.00 o
-2 1 1 14544.44 14801.87 191.77 o
1 1 1 15.93 19.50 11.70 o
2 1 1 2306.86 2341.56 42.59 o
3 1 1 13948.53 14193.18 178.39 o
4 1 1 46411.58 46262.12 552.47 o
5 1 1 5700.94 5712.42 94.89 o
6 1 1 9707.38 9744.76 147.60 o
7 1 1 5515.72 5451.02 107.18 o
8 1 1 3.90 -25.73 25.73 o
9 1 1 970.69 947.99 49.40 o
10 1 1 213.84 201.63 63.93 o
-10 2 1 2913.15 2825.21 202.69 o
-9 2 1 151.02 115.79 32.51 o
-8 2 1 3037.45 2963.51 75.31 o
-7 2 1 279.99 293.69 32.14 o
-6 2 1 26511.31 26924.62 371.46 o
-5 2 1 7813.99 7590.92 120.06 o
-4 2 1 17515.37 17464.66 225.16 o
-3 2 1 4588.00 4519.58 71.45 o
-2 2 1 40819.14 40749.09 643.78 o
-1 2 1 5514.93 5394.05 84.73 o
0 2 1 15327.03 15211.67 209.23 o
2 2 1 59367.99 58391.88 977.43 o
3 2 1 8104.25 8003.83 132.64 o
4 2 1 3863.62 3932.64 80.91 o
5 2 1 5775.54 5837.43 96.25 o
6 2 1 31950.70 32538.60 428.31 o
7 2 1 19487.28 19912.20 276.23 o
8 2 1 2904.60 2843.68 72.03 o
9 2 1 1610.57 1656.04 62.77 o
10 2 1 9182.66 9421.79 289.40 o
-10 3 1 6683.70 6866.85 313.13 o
-9 3 1 7970.35 8217.99 145.48 o
-8 3 1 4397.01 4070.95 88.64 o
-7 3 1 1757.40 1931.18 60.67 o
-6 3 1 13487.83 13283.44 196.64 o
-5 3 1 8134.32 7926.57 124.89 o
-4 3 1 45596.34 45915.73 585.76 o
-3 3 1 58682.80 58898.04 882.59 o
-2 3 1 19.51 33.41 16.84 o
-1 3 1 3054.52 3084.54 51.78 o
0 3 1 7287.85 7399.75 83.33 o
1 3 1 21550.89 21681.37 260.04 o
2 3 1 27981.72 27536.40 330.21 o
3 3 1 11400.76 11136.15 148.63 o
4 3 1 36813.45 37078.52 482.02 o
5 3 1 7893.40 7953.05 122.19 o
6 3 1 1264.35 1374.49 47.41 o
7 3 1 491.49 524.73 35.75 o
8 3 1 2151.66 2172.68 69.81 o
9 3 1 4494.53 4633.64 97.82 o
10 3 1 69.46 39.45 82.78 o
-10 4 1 91.59 111.77 65.89 o
-9 4 1 130.02 97.60 32.45 o
-8 4 1 628.78 712.08 42.92 o
-7 4 1 1101.41 1179.39 47.98 o
-6 4 1 17.57 32.38 23.93 o
-5 4 1 154.52 166.11 24.72 o
-4 4 1 20033.52 20202.49 286.36 o
-3 4 1 30167.34 31407.53 403.32 o
-2 4 1 8861.18 8956.02 142.04 o
-1 4 1 21.22 35.44 13.38 o
0 4 1 8.34 2.63 13.48 o
2 4 1 70390.25 73834.43 1425.28 o
3 4 1 2082.42 2138.59 45.13 o
4 4 1 113.67 112.87 21.11 o
5 4 1 216.70 207.17 24.86 o
6 4 1 582.47 613.96 36.02 o
7 4 1 464.92 462.52 33.85 o
8 4 1 28661.89 27628.98 375.53 o
9 4 1 2611.79 2712.77 99.22 o
10 4 1 10.51 -56.27 78.14 o
-10 5 1 8484.20 9006.47 288.65 o
-9 5 1 6931.42 7052.74 142.38 o
-8 5 1 5899.90 5658.73 109.51 o
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-6 5 1 262.21 287.33 29.20 o
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-4 5 1 44192.05 44224.89 566.10 o
-3 5 1 2416.28 2583.56 50.21 o
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-1 5 1 2212.14 2207.12 46.77 o
0 5 1 30144.32 31529.07 333.91 o
1 5 1 19019.29 19328.04 228.33 o
2 5 1 38421.58 39043.43 465.82 o
3 5 1 158.83 165.74 20.60 o
4 5 1 3840.63 3791.66 69.90 o
5 5 1 20668.52 20765.42 280.11 o
6 5 1 4845.78 4853.25 88.40 o
7 5 1 10375.22 10364.91 167.75 o
8 5 1 2923.66 2945.37 79.36 o
9 5 1 5283.07 5355.67 157.79 o
10 5 1 2558.77 2498.86 258.01 o
-10 6 1 1144.45 1185.81 104.78 o
-9 6 1 1187.20 1273.32 73.71 o
-8 6 1 4776.77 4681.25 97.28 o
-7 6 1 1240.63 1283.28 50.69 o
-6 6 1 3472.95 3457.92 74.60 o
-5 6 1 3766.16 3854.59 75.74 o
-4 6 1 22393.54 22463.35 309.25 o
-3 6 1 50614.67 50992.32 626.91 o
-2 6 1 4480.78 4206.95 66.67 o
-1 6 1 113.94 100.50 17.84 o
0 6 1 26844.18 28265.42 294.83 o
1 6 1 1284.22 1420.89 33.44 o
2 6 1 8734.30 8616.78 126.03 o
3 6 1 42018.21 42657.53 509.33 o
4 6 1 43651.69 44218.25 570.46 o
5 6 1 428.07 514.09 34.62 o
6 6 1 610.29 660.07 39.87 o
7 6 1 7169.25 7036.05 126.29 o
8 6 1 5999.35 5835.41 114.67 o
9 6 1 6186.76 6318.16 191.55 o
10 6 1 2378.87 2627.91 183.91 o
-10 7 1 1180.00 1084.24 124.23 o
-9 7 1 517.59 664.22 63.07 o
-8 7 1 1149.17 1158.56 67.58 o
-7 7 1 13207.42 13054.03 200.22 o
-6 7 1 10366.15 10444.67 163.12 o
-5 7 1 1945.42 1993.74 55.40 o
-4 7 1 482.49 558.44 30.03 o
-3 7 1 295.41 335.56 24.33 o
-2 7 1 30402.96 31589.43 379.90 o
-1 7 1 596.99 644.92 22.55 o
0 7 1 80858.32 82871.22 1125.32 o
1 7 1 21814.68 22082.43 254.10 o
2 7 1 594.98 735.06 26.48 o
3 7 1 17476.16 17406.35 236.94 o
4 7 1 1866.03 1921.47 52.53 o
5 7 1 6828.57 6690.18 111.88 o
6 7 1 9172.14 8896.20 146.57 o
7 7 1 2210.26 2210.83 67.43 o
8 7 1 0.13 40.41 30.14 o
9 7 1 1515.42 1666.83 102.56 o
-9 8 1 2512.21 2716.42 117.06 o
-8 8 1 11335.43 11147.74 187.11 o
-7 8 1 10.68 34.85 27.46 o
-6 8 1 2585.96 2523.44 66.41 o
-5 8 1 30362.17 30109.15 428.65 o
-4 8 1 97.59 73.54 22.51 o
-3 8 1 5143.11 5277.28 87.75 o
-2 8 1 33848.63 33555.67 419.56 o
-1 8 1 11060.04 11096.63 132.19 o
0 8 1 8010.48 7561.65 90.73 o
1 8 1 141.64 174.03 19.66 o
2 8 1 557.76 679.80 28.39 o
3 8 1 10613.41 10616.25 154.78 o
4 8 1 8198.11 8046.71 127.31 o
5 8 1 27694.20 27434.40 368.07 o
6 8 1 3323.13 3291.94 78.26 o
7 8 1 5532.14 5439.97 106.89 o
8 8 1 2579.63 2616.86 76.36 o
9 8 1 5064.03 4756.53 163.10 o
-9 9 1 311.61 428.19 57.82 o
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-7 9 1 17780.06 17224.50 264.33 o
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-4 9 1 4305.02 4229.86 89.90 o
-3 9 1 599.11 702.30 33.07 o
-2 9 1 56661.79 55948.39 689.38 o
-1 9 1 0.73 5.53 17.11 o
0 9 1 173.66 205.40 21.22 o
1 9 1 1174.69 1222.86 37.89 o
2 9 1 5109.94 5144.03 83.03 o
3 9 1 5015.26 5159.44 94.71 o
4 9 1 3768.30 3746.10 89.51 o
5 9 1 7880.13 7891.86 133.12 o
6 9 1 21499.39 20587.72 369.12 o
7 9 1 301.29 243.96 35.40 o
8 9 1 995.63 1038.57 73.49 o
9 9 1 107.97 226.16 59.04 o
-9 10 1 162.95 144.67 59.27 o
-8 10 1 3653.47 3553.99 137.92 o
-7 10 1 223.46 235.25 36.64 o
-6 10 1 8205.42 7817.86 142.27 o
-5 10 1 3380.59 3317.19 79.10 o
-4 10 1 626.23 747.51 39.38 o
-3 10 1 442.32 538.53 32.98 o
-2 10 1 17096.46 17302.79 237.75 o
-1 10 1 186.58 230.53 21.41 o
0 10 1 79289.12 81370.11 960.23 o
1 10 1 7066.27 7057.63 103.42 o
2 10 1 17036.89 16979.12 231.03 o
3 10 1 15.05 42.98 25.70 o
4 10 1 22.99 -4.66 26.05 o
5 10 1 432.10 586.84 41.57 o
6 10 1 10319.79 9888.65 184.29 o
7 10 1 3184.18 3154.73 132.07 o
8 10 1 1000.97 1083.27 77.61 o
9 10 1 18.60 -45.08 51.07 o
-8 11 1 596.19 610.05 59.19 o
-7 11 1 14685.88 14312.57 264.61 o
-6 11 1 2615.11 2539.14 81.01 o
-5 11 1 4396.81 4243.07 93.12 o
-4 11 1 334.34 321.78 31.94 o
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-1 11 1 224.72 248.60 22.66 o
0 11 1 3185.24 3144.95 59.25 o
1 11 1 896.69 978.55 36.69 o
2 11 1 20.27 15.51 21.20 o
3 11 1 30907.20 31071.11 428.29 o
4 11 1 2070.57 2030.97 63.28 o
5 11 1 8541.68 8061.98 143.37 o
6 11 1 6178.72 5921.68 127.84 o
7 11 1 94.11 120.01 37.73 o
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0 13 1 15891.20 15828.12 201.75 o
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2 13 1 271.06 354.04 28.97 o
3 13 1 9191.89 9109.58 174.01 o
4 13 1 151.10 133.03 29.99 o
5 13 1 221.08 214.07 34.76 o
6 13 1 7.51 -7.19 32.49 o
7 13 1 3599.64 3541.29 144.11 o
-7 14 1 1171.52 1183.66 102.16 o
-6 14 1 0.93 -36.76 39.80 o
-5 14 1 3975.36 3963.51 96.77 o
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2 14 1 6.59 18.68 22.97 o
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4 14 1 236.41 243.60 33.54 o
5 14 1 799.40 801.44 48.77 o
6 14 1 1515.33 1607.10 88.78 o
7 14 1 384.58 518.27 66.93 o
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-6 15 1 2341.17 2299.76 98.84 o
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1 15 1 295.62 354.65 31.71 o
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5 15 1 7357.75 7088.89 169.18 o
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