#------------------------------------------------------------------------------
#$Date: 2019-08-01 07:04:06 +0300 (Thu, 01 Aug 2019) $
#$Revision: 217347 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/84/2108460.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_2108460
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.6793
_cell_length_b                   9.0674
_cell_length_c                   10.6085
_exptl_crystal_F_000             376.00
_reflns_d_resolution_high        0.4000
_cod_data_source_file            px5016IAM_MoProsup3.hkl
_cod_data_source_block           IAM_MoPro
_shelx_title                     ' written by MoPro v18'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            63.86
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 1 0 43.328 50.509 1.074 o
0 -2 0 318.791 373.548 15.747 o
-1 3 0 1093.843 1235.036 94.637 o
-3 0 -1 103.445 113.442 1.197 o
0 1 1 15.159 13.531 0.500 o
1 1 -1 119.985 118.094 3.156 o
-1 1 -1 119.549 120.000 2.112 o
2 -1 1 193.300 218.492 5.399 o
2 1 1 192.671 219.822 3.563 o
0 2 -1 48.775 47.126 2.138 o
-2 2 1 596.052 672.289 15.287 o
2 2 1 596.250 674.253 11.544 o
-1 -3 -1 391.556 449.107 4.972 o
1 -3 -1 391.673 439.195 7.109 o
-1 0 -2 528.990 532.430 14.975 o
-2 0 -2 160.134 147.597 1.685 o
1 -1 2 352.834 359.970 5.347 o
-1 1 -2 352.740 352.585 5.841 o
0 2 -2 137.394 166.444 3.893 o
1 -2 2 263.017 299.762 5.315 o
-1 -2 2 262.784 295.458 4.192 o
2 -2 2 910.922 1111.880 85.088 o
0 3 2 522.394 597.450 9.330 o
-1 0 -3 538.640 521.610 13.435 o
-2 0 -3 8.941 3.102 0.192 o
0 1 -3 1.919 3.423 0.226 o
-1 -1 -3 979.339 961.809 72.397 o
-1 1 -3 978.327 1007.651 72.922 o
2 -1 3 176.163 213.954 5.035 o
-2 -1 3 176.090 215.355 2.241 o
0 -2 3 180.157 238.944 4.941 o
1 -2 3 208.234 245.889 3.239 o
1 2 3 208.220 247.251 5.641 o
0 0 4 21.695 22.273 0.854 o
-4 0 0 722.141 790.274 35.151 o
-4 -1 0 23.271 24.219 1.025 o
2 3 0 402.536 432.064 3.986 o
-3 -3 0 8.646 6.519 0.550 o
1 4 0 630.516 718.109 10.595 o
4 0 -1 358.110 427.593 6.126 o
4 -1 1 416.252 474.433 14.901 o
4 1 1 416.238 472.621 6.929 o
-2 -3 -1 32.423 45.527 0.879 o
-2 -3 1 32.576 44.343 1.160 o
0 4 1 61.668 81.212 2.235 o
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3 1 -2 162.258 179.914 3.298 o
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3 2 -2 404.192 464.360 9.285 o
3 2 2 403.199 452.589 9.399 o
1 -3 2 314.115 342.600 3.764 o
-1 -3 2 314.689 343.867 5.878 o
2 -3 2 1332.186 1602.045 122.129 o
0 4 -2 1.012 1.913 0.525 o
3 0 -3 75.225 84.525 1.559 o
3 -1 3 558.493 625.045 12.716 o
-3 1 -3 557.961 623.666 10.787 o
-2 -2 -3 168.274 188.236 5.151 o
2 -2 -3 168.436 188.771 4.205 o
0 3 3 158.011 194.033 4.710 o
-1 0 -4 1572.294 1620.137 118.456 o
2 0 4 411.951 455.390 6.889 o
0 -1 4 90.111 114.448 1.385 o
1 -1 4 211.512 239.349 4.438 o
1 -1 -4 211.438 242.762 3.261 o
-2 -1 4 920.687 992.075 27.279 o
0 2 4 40.016 35.188 0.589 o
1 2 -4 480.244 563.919 10.460 o
-1 2 -4 479.577 551.332 9.226 o
0 -1 -5 142.245 154.233 2.583 o
2 -4 0 0.047 0.728 0.236 o
-3 3 1 12.806 14.180 0.427 o
3 -3 -1 12.900 15.231 0.743 o
-2 -4 -1 631.240 728.073 13.297 o
2 4 1 631.154 721.051 10.388 o
-4 0 2 512.216 614.910 8.124 o
4 -1 2 881.690 990.415 74.286 o
-4 1 -2 880.565 969.475 33.890 o
-4 2 2 280.060 279.809 6.274 o
-4 -2 2 279.932 275.495 3.782 o
-3 -3 -2 975.636 1039.253 36.361 o
3 -3 -2 974.149 1084.426 17.110 o
1 4 -2 39.574 59.839 1.960 o
-1 4 -2 39.302 56.418 1.402 o
2 -4 2 525.272 590.792 7.903 o
2 -4 -2 525.240 577.777 11.586 o
-4 0 -3 1.555 1.089 0.153 o
4 -1 3 54.584 60.931 0.930 o
-4 1 -3 54.585 56.375 0.897 o
3 -2 3 138.635 157.950 4.538 o
3 2 3 138.673 159.090 2.231 o
-2 -3 -3 394.192 456.229 6.546 o
2 -3 -3 393.900 452.916 5.808 o
3 3 -3 118.826 140.897 3.570 o
-3 -3 3 118.988 137.349 2.304 o
0 -4 3 487.841 532.182 9.965 o
1 -4 3 231.810 280.490 6.271 o
1 4 3 231.568 272.034 5.324 o
3 0 -4 0.881 3.388 0.286 o
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3 1 4 84.296 102.221 1.284 o
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2 -2 -4 140.300 160.598 2.469 o
0 3 4 289.218 336.685 4.386 o
1 3 -4 59.929 56.661 1.449 o
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2 3 -4 186.124 198.131 2.606 o
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1 -1 5 416.391 495.280 6.553 o
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0 -2 -5 1282.198 1290.963 94.427 o
-1 -2 -5 193.030 250.293 4.162 o
1 -2 -5 192.384 241.702 3.809 o
-5 1 0 1368.164 1511.004 114.154 o
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3 -4 0 722.734 800.045 5.255 o
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2 -5 0 741.104 820.038 13.163 o
5 0 -1 1.184 3.402 0.398 o
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5 1 1 89.770 93.137 0.970 o
-4 3 1 266.759 300.343 5.319 o
4 -3 -1 267.172 304.257 5.946 o
-3 4 1 243.539 275.287 3.247 o
3 4 1 243.426 280.274 5.719 o
0 5 1 393.944 429.150 9.640 o
1 5 -1 515.956 586.013 9.200 o
1 5 1 515.383 583.486 8.954 o
2 5 -1 611.123 658.604 7.843 o
-2 5 -1 612.132 654.792 11.732 o
5 0 2 4.332 3.097 0.323 o
4 -3 2 197.325 208.248 2.763 o
4 3 2 196.721 209.904 3.536 o
-3 -4 -2 234.288 261.944 3.965 o
-3 4 -2 234.711 255.936 4.953 o
0 5 2 438.796 466.255 5.956 o
-1 5 2 913.492 1010.013 19.925 o
-1 -5 2 913.523 1006.098 15.472 o
4 -2 3 198.106 209.803 4.938 o
4 2 3 198.691 204.118 2.710 o
-2 4 3 557.534 620.265 7.438 o
-2 -4 3 557.839 609.257 7.685 o
4 0 4 124.323 126.133 1.816 o
-4 -1 -4 151.300 162.717 3.299 o
4 -1 -4 151.419 163.867 1.964 o
3 -2 4 319.845 365.131 8.789 o
3 2 4 319.755 359.925 5.029 o
-3 -3 -4 49.148 61.964 2.352 o
-3 -3 4 49.230 59.437 1.226 o
0 4 4 297.873 333.411 6.791 o
-1 4 4 48.437 61.937 1.214 o
-1 -4 4 48.664 61.972 1.523 o
-3 0 -5 230.087 201.362 4.027 o
-3 -1 -5 464.610 499.548 7.697 o
-3 -1 5 464.304 495.148 6.046 o
-2 2 5 81.683 96.878 2.061 o
2 -2 -5 81.420 95.258 1.756 o
0 -3 5 89.524 97.852 2.240 o
1 -3 5 385.445 427.060 4.122 o
-1 3 -5 385.598 418.666 5.794 o
-1 0 -6 308.967 357.591 4.844 o
2 0 6 8.274 4.655 0.241 o
0 -1 -6 104.170 140.896 1.980 o
1 -1 6 206.770 225.092 4.359 o
1 1 6 206.920 221.602 3.140 o
0 -2 6 213.260 201.793 3.432 o
-5 -2 0 420.916 529.173 6.634 o
4 -4 0 1887.044 2141.113 162.732 o
3 -5 0 224.009 250.767 3.139 o
5 2 -1 434.220 476.338 8.387 o
5 -2 -1 434.081 483.184 5.681 o
-4 -4 -1 128.902 152.454 1.800 o
4 4 1 129.250 152.922 2.311 o
-3 -5 -1 27.658 23.601 0.761 o
3 5 1 27.623 24.366 0.734 o
-5 -1 -2 787.074 855.079 12.795 o
5 -1 -2 786.118 841.533 9.460 o
-5 -2 -2 352.776 381.672 8.043 o
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-3 -4 -3 93.887 122.949 2.141 o
3 -4 -3 93.998 122.711 2.984 o
0 -5 3 998.276 1173.540 21.944 o
1 5 -3 132.806 160.718 2.249 o
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-3 -2 -5 1016.807 1147.803 19.874 o
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-2 3 -5 17.991 17.067 0.430 o
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-5 -3 1 463.477 511.248 8.534 o
0 6 1 48.113 50.115 1.395 o
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1 6 1 19.453 21.405 0.573 o
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