#------------------------------------------------------------------------------
#$Date: 2022-01-01 06:12:12 +0200 (Sat, 01 Jan 2022) $
#$Revision: 271662 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108893.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_2108893
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.6648
_cell_length_b                   11.9321
_cell_length_c                   12.9678
_exptl_crystal_F_000             1040.00
_reflns_d_resolution_high        0.4498
_cod_data_source_file            px5041IAM_MoProsup2.hkl
_cod_data_source_block           IAM_MoPro
_shelx_title                     ' written by MoPro v20'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            100.40
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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
0 -3 -2 1916.503 1893.302 74.504 o
0 -3 2 1917.790 1857.851 77.007 o
0 0 -4 457.109 441.646 22.383 o
-1 -1 0 301.874 299.938 5.445 o
1 -2 0 143.818 141.275 3.245 o
1 -3 0 361.351 387.019 9.398 o
-1 -1 -1 870.165 847.327 14.091 o
1 -1 1 871.216 834.786 26.571 o
-1 -2 -1 155.124 161.941 2.149 o
1 -2 1 155.613 163.797 6.388 o
1 -3 1 565.446 591.185 12.631 o
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-1 -1 -2 13.310 17.811 1.535 o
1 -1 2 13.365 18.240 3.754 o
-1 -3 -2 498.175 523.716 13.268 o
1 -3 2 497.810 525.129 10.427 o
-1 -1 -3 733.231 734.991 17.190 o
1 -1 3 733.617 769.368 28.041 o
-1 -2 -3 384.358 396.775 9.447 o
1 -2 3 384.585 367.455 7.772 o
-1 -1 -4 300.199 309.439 9.364 o
1 -1 4 300.131 313.378 20.576 o
2 0 0 158.062 212.731 3.085 o
2 -1 0 4.675 5.480 0.695 o
-2 -2 0 2042.188 2194.958 37.408 o
-2 -1 -1 1816.699 1901.866 27.313 o
2 -1 1 1817.226 1913.768 74.365 o
2 -2 1 1460.016 1580.815 35.954 o
-2 -2 -1 1460.897 1643.480 14.189 o
2 -3 1 1660.641 1798.816 29.077 o
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2 0 2 1845.109 1896.471 74.087 o
2 0 -2 1847.648 1853.955 55.022 o
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2 -1 2 172.949 162.598 6.251 o
2 -2 2 841.433 974.439 25.590 o
-2 -2 -2 841.295 1009.282 15.681 o
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2 -1 3 23.075 20.637 6.117 o
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3 -1 2 258.267 285.985 17.795 o
3 -2 2 1019.103 1058.992 39.500 o
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0 -3 4 602.627 659.211 38.649 o
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1 -4 1 755.261 803.663 17.953 o
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1 -4 2 3418.047 3603.841 64.719 o
1 -4 -2 3419.041 3549.773 137.901 o
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1 -3 3 276.666 274.681 14.738 o
1 -2 4 1719.467 1797.917 28.772 o
-1 -2 -4 1719.256 1774.369 58.033 o
-1 -1 -5 3847.719 4278.294 127.624 o
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2 -3 2 116.550 115.209 6.632 o
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0 -5 0 666.615 804.515 19.666 o
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0 -5 2 1784.532 1998.022 86.878 o
0 -4 -4 550.590 642.170 32.254 o
0 -4 4 550.330 606.128 34.757 o
0 -1 -6 739.222 861.884 40.596 o
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1 -3 5 136.917 126.208 8.022 o
2 -5 0 1037.460 1191.130 22.667 o
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2 -5 1 2391.028 2521.146 27.141 o
2 -5 2 348.479 394.078 10.894 o
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2 -4 3 176.690 174.072 10.091 o
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-2 -3 4 3974.603 4396.330 170.989 o
2 -1 5 71.844 96.670 12.234 o
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-2 -2 -5 1196.645 1418.440 25.263 o
2 -2 5 1199.743 1387.398 45.879 o
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-3 -4 -2 1078.264 1235.376 19.972 o
-3 -2 -4 539.497 620.681 24.965 o
3 -2 4 539.623 613.920 16.960 o
3 -3 4 502.590 559.077 23.280 o
-3 -3 -4 502.907 539.515 17.881 o
3 -1 5 179.684 242.655 20.159 o
-3 -1 -5 179.762 259.653 12.512 o
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4 -4 1 333.558 387.869 9.770 o
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-1 -1 -6 387.430 497.341 11.704 o
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-23 -16 7 27.384 23.035 5.212 o
-25 9 13 8.262 12.245 4.513 o
-29 -2 -8 17.723 12.224 2.032 o
-30 0 -4 30.878 31.513 12.373 o
1 22 -16 70.432 50.471 6.139 o
2 24 -12 43.715 51.830 6.967 o
2 13 -25 9.800 17.811 2.567 o
2 9 -27 33.012 39.115 2.964 o
2 -9 27 33.117 35.323 6.952 o
3 23 -14 37.290 34.719 8.465 o
6 22 -15 28.782 32.240 6.076 o
6 20 -18 98.597 103.606 9.118 o
7 1 -28 11.980 14.108 5.611 o
8 9 -26 20.615 22.590 4.298 o
-8 6 -27 3.381 8.863 3.232 o
11 11 -24 11.943 13.252 2.664 o
-14 -19 -15 13.605 9.990 4.207 o
-14 -19 15 13.631 17.640 5.345 o
14 8 -24 9.881 14.022 6.010 o
15 11 -22 57.437 53.040 4.893 o
-15 -11 22 57.468 67.983 13.903 o
-16 -17 16 13.056 10.533 5.153 o
-19 -4 -22 77.165 80.314 6.773 o
-19 4 22 77.321 89.648 12.935 o
-21 11 17 10.242 15.956 2.501 o
-23 -14 11 37.238 59.762 14.042 o
-25 3 16 13.482 13.958 5.349 o
-28 -10 -2 56.955 46.280 13.298 o
-28 -10 2 56.966 45.719 10.427 o
-28 1 11 22.978 24.919 7.396 o
-28 -1 -11 22.994 25.775 4.336 o
2 6 -28 13.218 16.133 2.213 o
5 14 -24 18.169 19.981 5.128 o
7 7 -27 51.763 51.116 6.673 o
11 9 -25 13.323 12.536 2.479 o
-12 -8 -25 14.780 11.361 4.037 o
14 12 -22 16.427 16.227 6.127 o
14 5 -25 5.297 11.560 4.034 o
-27 5 12 14.393 25.604 4.909 o
-27 2 13 25.825 27.317 4.863 o