#------------------------------------------------------------------------------
#$Date: 2016-04-06 14:21:12 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181861 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/28/1542884.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_1542884
_cell_angle_alpha                90.000
_cell_angle_beta                 102.287
_cell_angle_gamma                90.000
_cell_length_a                   6.5170
_cell_length_b                   19.3927
_cell_length_c                   8.5991
_exptl_crystal_F_000             512.00
_reflns_d_resolution_high        0.8391
_cod_data_source_file            wm4009Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            197.89
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 12311.22 11773.31 179.95 o
2 0 0 24165.22 22983.00 353.50 o
3 0 0 9584.00 9960.39 224.38 o
4 0 0 24.09 23.50 5.51 o
5 0 0 191.42 153.08 10.65 o
6 0 0 705.73 728.23 20.08 o
7 0 0 256.42 265.45 8.69 o
1 1 0 548.48 567.94 9.62 o
2 1 0 709.38 729.40 11.47 o
3 1 0 10674.46 10833.73 139.69 o
4 1 0 2866.73 2846.99 60.38 o
5 1 0 1025.64 975.92 22.24 o
6 1 0 1351.81 1387.22 19.63 o
7 1 0 65.06 62.38 2.46 o
0 2 0 329.94 314.74 7.45 o
1 2 0 254.71 266.83 8.34 o
2 2 0 101.57 85.77 4.72 o
3 2 0 244.29 250.47 9.03 o
4 2 0 13.51 16.91 2.88 o
5 2 0 73.99 79.78 4.68 o
6 2 0 0.61 1.29 1.61 o
7 2 0 3.15 3.12 1.35 o
1 3 0 632.84 653.10 12.94 o
2 3 0 55.50 66.59 3.79 o
3 3 0 6241.11 6081.73 84.93 o
4 3 0 707.34 692.51 13.15 o
5 3 0 1.40 4.44 2.14 o
6 3 0 332.01 339.90 7.90 o
7 3 0 327.27 312.87 8.11 o
0 4 0 25255.81 24460.29 383.19 o
1 4 0 518.83 533.15 12.05 o
2 4 0 1179.51 1244.02 25.37 o
3 4 0 5.12 7.43 2.82 o
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5 4 0 1175.84 1225.92 20.20 o
6 4 0 3233.56 3282.62 37.85 o
7 4 0 1038.42 1056.02 15.21 o
1 5 0 521.27 525.19 9.90 o
2 5 0 1437.58 1557.53 31.09 o
3 5 0 1745.24 1710.37 36.30 o
4 5 0 1187.80 1148.40 14.24 o
5 5 0 88.68 88.51 5.00 o
6 5 0 428.59 447.30 9.31 o
7 5 0 3.67 4.91 1.32 o
0 6 0 934.37 939.91 21.15 o
1 6 0 649.18 617.28 20.27 o
2 6 0 6.24 10.16 3.19 o
3 6 0 12.54 12.24 3.85 o
4 6 0 1182.72 1117.93 14.11 o
5 6 0 75.06 73.02 4.73 o
6 6 0 322.85 335.15 8.25 o
7 6 0 292.29 285.63 5.78 o
1 7 0 1575.85 1519.59 25.86 o
2 7 0 661.07 752.31 28.42 o
3 7 0 7466.78 7285.10 123.22 o
4 7 0 2890.27 2772.02 26.19 o
5 7 0 312.25 319.95 8.47 o
6 7 0 1358.71 1439.60 21.33 o
7 7 0 50.45 42.84 2.79 o
0 8 0 15103.53 15383.28 329.23 o
1 8 0 2904.26 2952.83 59.13 o
2 8 0 96.37 76.32 7.17 o
3 8 0 707.45 713.19 13.91 o
4 8 0 927.13 914.09 10.96 o
5 8 0 238.30 244.10 7.41 o
6 8 0 1047.32 1055.35 16.87 o
7 8 0 338.01 339.07 22.24 o
1 9 0 1731.73 1820.16 33.34 o
2 9 0 543.99 579.03 19.69 o
3 9 0 174.87 191.16 7.27 o
4 9 0 10.62 13.17 2.39 o
5 9 0 273.64 262.16 7.77 o
6 9 0 27.07 29.66 3.08 o
0 10 0 8649.58 7535.52 178.83 o
1 10 0 1892.31 1840.12 40.46 o
2 10 0 2918.61 2999.06 48.20 o
3 10 0 1024.59 946.71 9.61 o
4 10 0 110.76 106.13 3.62 o
5 10 0 18.77 15.63 2.48 o
6 10 0 76.57 74.15 3.99 o
1 11 0 1447.28 1356.10 34.07 o
2 11 0 766.46 738.53 13.24 o
3 11 0 5428.23 5193.84 41.84 o
4 11 0 2377.37 2444.60 26.79 o
5 11 0 499.11 492.36 8.49 o
6 11 0 913.81 914.36 12.10 o
0 12 0 16161.79 16250.91 369.70 o
1 12 0 5321.54 5217.14 62.22 o
2 12 0 2901.00 2723.03 23.97 o
3 12 0 1212.86 1175.17 16.52 o
4 12 0 80.98 76.28 5.32 o
5 12 0 29.51 34.27 4.30 o
6 12 0 182.21 175.25 4.83 o
1 13 0 270.95 284.50 4.39 o
2 13 0 808.64 745.00 10.34 o
3 13 0 229.01 239.16 5.51 o
4 13 0 386.53 343.58 7.34 o
5 13 0 448.06 449.75 17.05 o
6 13 0 139.76 126.95 4.39 o
0 14 0 1143.87 1100.53 19.89 o
1 14 0 582.78 556.08 7.63 o
2 14 0 214.79 207.00 4.52 o
3 14 0 171.07 168.10 5.18 o
4 14 0 608.98 634.04 11.48 o
5 14 0 18.13 20.33 2.38 o
1 15 0 484.44 477.89 7.08 o
2 15 0 329.26 326.54 5.82 o
3 15 0 1799.53 1831.22 18.76 o
4 15 0 836.48 840.89 12.53 o
5 15 0 154.04 159.36 4.94 o
0 16 0 255.96 269.68 9.07 o
1 16 0 28.31 28.46 2.31 o
2 16 0 202.92 193.78 4.68 o
3 16 0 395.84 371.00 7.17 o
4 16 0 381.48 388.14 7.72 o
5 16 0 571.84 567.66 9.24 o
1 17 0 510.87 511.21 7.52 o
2 17 0 3.52 5.83 1.59 o
3 17 0 142.69 140.78 4.31 o
4 17 0 91.89 101.99 4.30 o
5 17 0 5.01 5.59 1.87 o
0 18 0 206.90 213.91 8.10 o
1 18 0 76.14 63.86 3.73 o
2 18 0 7.09 12.21 1.94 o
3 18 0 6.13 13.58 3.62 o
4 18 0 633.86 644.85 12.79 o
1 19 0 166.80 176.91 4.80 o
2 19 0 181.18 177.72 4.98 o
3 19 0 663.76 676.46 9.16 o
4 19 0 362.30 351.85 8.54 o
0 20 0 706.77 700.89 17.63 o
1 20 0 613.50 614.15 10.94 o
2 20 0 115.70 116.48 4.06 o
3 20 0 45.44 45.34 3.44 o
1 21 0 406.23 398.54 8.06 o
2 21 0 9.44 2.86 1.72 o
3 21 0 322.55 339.20 14.68 o
0 22 0 2357.05 2430.35 49.48 o
1 22 0 1441.52 1392.49 22.06 o
2 22 0 1353.07 1372.88 24.82 o
-7 1 1 1241.82 1182.91 19.32 o
-6 1 1 23.31 29.84 2.22 o
-5 1 1 50.76 52.66 2.77 o
-4 1 1 1.51 4.89 2.52 o
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-1 1 1 12456.61 12237.02 402.83 o
0 1 1 4417.45 4334.02 48.14 o
1 1 1 108.76 98.89 6.41 o
2 1 1 22.59 36.04 5.30 o
3 1 1 470.48 462.14 19.56 o
4 1 1 3945.23 3751.32 43.23 o
5 1 1 258.57 249.49 8.69 o
6 1 1 800.67 774.64 15.00 o
7 1 1 29.56 25.98 2.01 o
-7 2 1 264.84 260.14 13.13 o
-6 2 1 1759.67 1809.07 18.27 o
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-4 2 1 3282.68 3358.94 69.28 o
-3 2 1 55.07 70.28 4.77 o
-2 2 1 9756.10 10248.30 149.49 o
-1 2 1 4677.09 5243.44 239.81 o
0 2 1 6496.94 6435.40 82.99 o
1 2 1 37133.56 34181.03 549.82 o
2 2 1 4702.45 4615.15 102.78 o
3 2 1 14104.98 14118.09 185.49 o
4 2 1 714.35 678.47 15.08 o
5 2 1 57.05 48.14 4.96 o
6 2 1 208.24 201.34 6.68 o
7 2 1 1422.24 1356.49 13.26 o
-7 3 1 73.17 64.95 4.12 o
-6 3 1 209.51 205.12 4.51 o
-5 3 1 984.11 1000.68 12.32 o
-4 3 1 724.00 708.75 15.30 o
-3 3 1 3949.59 4178.03 65.82 o
-2 3 1 3390.52 3421.15 95.36 o
-1 3 1 11316.64 12523.63 173.89 o
0 3 1 1796.12 1736.21 21.64 o
1 3 1 873.55 837.10 15.76 o
2 3 1 482.42 544.65 15.97 o
3 3 1 2503.76 2704.38 48.13 o
4 3 1 4420.77 4226.89 48.58 o
5 3 1 1682.81 1675.95 28.70 o
6 3 1 1445.69 1501.95 22.70 o
7 3 1 317.01 302.61 6.12 o
-7 4 1 0.67 1.63 1.36 o
-6 4 1 205.57 201.40 4.65 o
-5 4 1 14.84 15.88 2.07 o
-4 4 1 363.31 355.42 7.82 o
-3 4 1 373.10 365.58 10.07 o
-2 4 1 1.94 3.64 1.53 o
-1 4 1 545.13 591.32 12.98 o
0 4 1 391.04 410.62 7.85 o
1 4 1 12.39 11.26 2.33 o
2 4 1 5.16 4.17 3.32 o
3 4 1 329.22 322.56 14.08 o
4 4 1 4.68 8.24 1.78 o
5 4 1 1.79 4.42 2.03 o
6 4 1 40.35 41.14 6.41 o
7 4 1 55.32 53.05 2.32 o
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-6 5 1 101.64 105.69 4.67 o
-5 5 1 44.22 50.29 4.65 o
-4 5 1 44.62 44.10 2.90 o
-3 5 1 4471.40 4641.47 66.84 o
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0 5 1 12243.71 12446.23 136.09 o
1 5 1 608.46 589.80 11.74 o
2 5 1 565.56 531.42 16.75 o
3 5 1 715.37 722.79 22.88 o
4 5 1 2736.42 2605.73 26.71 o
5 5 1 244.75 230.56 7.35 o
6 5 1 545.93 559.55 11.67 o
7 5 1 52.65 43.24 2.55 o
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-4 6 1 8692.75 8286.86 81.32 o
-3 6 1 11142.29 11500.55 261.27 o
-2 6 1 32.26 48.12 4.77 o
-1 6 1 11517.48 12027.45 153.02 o
0 6 1 325.82 444.03 9.35 o
1 6 1 2.44 9.88 3.17 o
2 6 1 279.64 292.94 27.86 o
3 6 1 637.34 612.34 21.01 o
4 6 1 403.46 364.59 6.63 o
5 6 1 439.81 430.75 9.17 o
6 6 1 89.04 97.16 4.32 o
7 6 1 1422.53 1392.23 22.11 o
-7 7 1 467.53 431.49 9.52 o
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-5 7 1 38.33 43.25 4.43 o
-4 7 1 252.75 231.47 5.38 o
-3 7 1 3.31 2.82 2.66 o
-2 7 1 52.24 48.38 9.79 o
-1 7 1 3053.17 3210.15 46.87 o
0 7 1 1667.63 1750.95 29.13 o
1 7 1 60.53 71.97 5.36 o
2 7 1 1269.61 1332.50 31.93 o
3 7 1 132.15 153.58 6.81 o
4 7 1 113.00 121.69 4.07 o
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3 10 1 7523.49 7169.58 56.16 o
4 10 1 1170.77 1206.58 14.92 o
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6 10 1 106.81 111.83 4.15 o
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-5 11 1 46.53 44.39 3.50 o
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-3 11 1 10.63 14.04 1.77 o
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-1 11 1 1404.89 1450.62 35.94 o
0 11 1 1.20 1.51 2.89 o
1 11 1 3.90 4.52 5.27 o
2 11 1 13.13 12.35 1.67 o
3 11 1 275.56 251.38 4.58 o
4 11 1 1.10 5.27 1.62 o
5 11 1 352.72 348.21 7.24 o
6 11 1 0.03 3.23 1.40 o
-6 12 1 421.55 405.12 10.40 o
-5 12 1 28.64 25.12 2.47 o
-4 12 1 118.33 111.51 4.22 o
-3 12 1 1.65 0.02 1.34 o
-2 12 1 1412.61 1338.25 13.63 o
-1 12 1 344.92 323.72 9.46 o
0 12 1 6116.60 5969.86 108.61 o
1 12 1 3755.31 3542.20 39.83 o
2 12 1 1749.29 1695.53 14.80 o
3 12 1 3567.05 3554.42 31.64 o
4 12 1 237.20 242.66 7.24 o
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-3 13 1 2618.44 2586.99 27.93 o
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0 13 1 3518.67 3235.50 28.87 o
1 13 1 90.47 80.19 3.05 o
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-6 14 1 450.51 448.22 10.97 o
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0 14 1 18.91 16.40 1.57 o
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-2 19 1 155.70 150.70 5.50 o
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0 19 1 159.63 150.71 5.35 o
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2 19 1 34.00 37.35 2.90 o
3 19 1 189.62 176.56 4.57 o
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-3 20 1 0.07 7.68 1.68 o
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0 21 1 363.66 370.62 8.05 o
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