#------------------------------------------------------------------------------
#$Date: 2020-03-12 09:20:34 +0200 (Thu, 12 Mar 2020) $
#$Revision: 249318 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/85/2108586.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_2108586
_cell_angle_alpha                88.333
_cell_angle_beta                 89.646
_cell_angle_gamma                73.099
_cell_length_a                   7.8898
_cell_length_b                   8.5729
_cell_length_c                   14.2922
_exptl_crystal_F_000             408.00
_reflns_d_resolution_high        0.7393
_cod_data_source_file            dk5079P5_4sup4.hkl
_cod_data_source_block           P5_4
_shelx_title                     ' written by MoPro v16'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            299.96
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
-10 -5 1 280.805 276.252 21.683 o
-10 -5 2 20.085 22.509 7.897 o
-10 -4 1 6.810 13.216 6.881 o
-10 -4 2 32.634 26.782 7.593 o
-10 -4 3 0.048 0.690 5.295 o
-10 -4 5 22.582 17.784 6.547 o
-10 -3 2 106.276 92.654 11.715 o
-10 -3 3 110.055 101.938 9.228 o
-10 -3 4 32.038 30.874 8.064 o
-10 -3 5 8.035 4.615 3.696 o
-10 -2 1 155.252 160.827 15.682 o
-10 -2 2 0.285 2.132 3.414 o
-10 -2 3 150.416 153.218 11.700 o
-10 -1 2 98.781 102.703 27.255 o
-10 -1 3 308.176 302.240 22.784 o
-9 -8 1 87.235 89.967 12.490 o
-9 -8 2 18.492 15.135 6.438 o
-9 -7 1 0.709 0.449 2.191 o
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-9 -6 3 36.012 33.298 7.769 o
-9 -6 4 143.903 164.670 16.266 o
-9 -6 5 75.753 74.170 11.715 o
-9 -6 8 65.134 45.743 10.592 o
-9 -5 2 56.197 55.604 6.999 o
-9 -5 3 228.979 232.885 12.896 o
-9 -5 4 38.733 28.601 6.805 o
-9 -5 5 10.352 11.679 2.628 o
-9 -5 6 18.341 11.952 3.137 o
-9 -5 7 13.188 16.577 4.948 o
-9 -5 8 35.120 40.688 9.699 o
-9 -4 1 5.849 7.607 2.501 o
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-9 -4 3 19.418 15.619 3.642 o
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-9 -4 5 9.437 7.142 2.805 o
-9 -4 7 9.766 10.074 3.038 o
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-9 -4 9 5.019 2.003 4.727 o
-9 -3 1 6.986 8.407 4.518 o
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-9 -3 6 23.290 16.781 2.808 o
-9 -3 7 0.310 1.156 2.849 o
-9 -3 8 36.611 39.081 5.407 o
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-9 -2 5 50.635 43.279 4.953 o
-9 -2 6 16.874 16.853 3.708 o
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-9 -2 8 4.872 7.792 6.029 o
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-9 -1 2 66.615 67.793 8.033 o
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-9 -1 6 13.327 9.016 3.620 o
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-9 0 2 83.179 81.562 6.606 o
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-9 1 3 51.184 41.842 6.884 o
-9 1 4 6.857 7.400 3.451 o
-9 2 0 12.997 14.182 6.772 o
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-8 -8 1 35.509 31.639 5.615 o
-8 -8 3 22.266 14.643 4.458 o
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-8 -8 5 17.928 11.356 5.449 o
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-8 -7 3 155.144 156.773 8.600 o
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-8 -7 5 10.982 11.122 3.004 o
-8 -7 6 23.517 22.052 9.921 o
-8 -7 8 81.506 89.115 12.077 o
-8 -7 9 108.717 103.095 13.734 o
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-8 -6 2 2.733 0.332 1.993 o
-8 -6 4 3.983 6.922 1.957 o
-8 -6 5 102.515 108.578 6.374 o
-8 -6 6 0.099 1.381 2.993 o
-8 -6 7 28.907 24.841 4.262 o
-8 -6 8 120.808 109.230 7.020 o
-8 -6 9 42.617 36.984 8.106 o
-8 -6 10 21.633 22.813 8.727 o
-8 -5 1 17.488 17.359 3.892 o
-8 -5 4 87.455 88.429 5.760 o
-8 -5 5 3.174 0.632 1.582 o
-8 -5 6 5.999 0.334 1.972 o
-8 -5 7 61.511 71.177 6.192 o
-8 -5 8 16.036 10.130 2.986 o
-8 -5 9 73.486 74.975 5.910 o
-8 -5 10 10.375 7.841 5.274 o
-8 -5 11 179.929 175.008 19.093 o
-8 -4 1 5.193 3.359 1.177 o
-8 -4 2 0.219 1.185 1.728 o
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-8 -4 5 12.286 5.807 2.590 o
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-8 -3 3 219.472 211.811 7.576 o
-8 -3 4 0.586 2.616 1.818 o
-8 -3 5 18.003 14.746 2.170 o
-8 -3 6 53.882 55.606 3.829 o
-8 -3 7 3.232 3.177 2.293 o
-8 -3 8 0.278 1.251 1.854 o
-8 -3 9 7.748 5.236 2.299 o
-8 -3 10 64.626 63.415 4.441 o
-8 -3 12 25.114 13.321 4.625 o
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-8 -2 2 10.808 9.517 2.369 o
-8 -2 3 24.067 17.960 3.926 o
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-8 -2 6 75.078 69.563 4.200 o
-8 -2 9 20.535 19.712 3.273 o
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-8 -2 11 9.447 9.880 3.118 o
-8 -2 12 12.674 9.612 5.313 o
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-8 -1 2 0.574 3.731 1.646 o
-8 -1 3 0.093 0.324 2.170 o
-8 -1 4 18.095 16.664 3.981 o
-8 -1 5 40.272 31.371 3.790 o
-8 -1 6 135.202 137.044 7.740 o
-8 -1 8 19.777 18.383 3.624 o
-8 -1 9 135.387 151.690 9.909 o
-8 -1 10 7.466 8.925 3.289 o
-8 -1 11 40.901 26.578 7.160 o
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-8 0 2 91.626 88.663 5.843 o
-8 0 3 53.900 56.682 4.902 o
-8 0 4 18.034 15.734 4.073 o
-8 0 5 96.020 89.529 6.298 o
-8 0 6 15.003 19.327 3.372 o
-8 0 7 13.601 18.850 4.156 o
-8 0 8 25.890 29.663 5.138 o
-8 0 9 33.218 33.923 6.519 o
-8 0 11 42.821 40.292 8.749 o
-8 1 0 21.648 17.471 2.994 o
-8 1 1 20.380 24.432 3.380 o
-8 1 2 378.578 389.042 16.158 o
-8 1 3 38.800 35.119 4.988 o
-8 1 5 12.786 10.508 2.807 o
-8 1 6 8.008 8.371 5.293 o
-8 1 8 84.913 90.927 7.244 o
-8 1 9 104.321 85.967 12.231 o
-8 2 0 12.506 22.745 6.597 o
-8 2 1 19.911 17.078 3.870 o
-8 2 2 11.162 5.584 7.963 o
-8 2 3 181.194 191.153 13.410 o
-8 2 4 68.479 66.391 7.277 o
-8 2 5 7.529 6.662 3.458 o
-8 2 6 9.523 5.572 3.367 o
-8 2 7 31.566 39.743 6.293 o
-8 2 8 46.262 49.926 9.830 o
-8 2 9 3.243 7.853 4.972 o
-8 3 0 9.725 14.429 4.100 o
-8 3 1 1.273 2.443 2.902 o
-8 3 2 159.903 161.699 11.577 o
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-8 3 4 4.542 4.493 3.671 o
-7 -9 2 13.282 10.995 3.364 o
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-7 -9 4 153.747 156.546 8.610 o
-7 -9 5 8.570 0.573 4.580 o
-7 -8 1 13.019 17.414 2.804 o
-7 -8 2 58.548 65.180 4.815 o
-7 -8 3 1.815 3.871 2.053 o
-7 -8 4 93.721 82.367 5.695 o
-7 -8 5 40.884 43.808 4.735 o
-7 -8 6 0.037 2.665 2.236 o
-7 -8 7 34.533 30.717 5.085 o
-7 -8 8 121.693 111.015 13.733 o
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-7 -7 3 23.177 26.009 3.605 o
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-7 -7 6 3.358 4.175 2.225 o
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-7 -6 1 43.705 41.028 3.305 o
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-7 -6 3 11.621 13.573 2.533 o
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-7 -6 10 0.707 3.217 2.487 o
-7 -6 11 111.400 106.765 8.181 o
-7 -5 1 378.964 384.735 10.528 o
-7 -5 2 14.719 11.979 1.568 o
-7 -5 3 34.943 31.662 2.355 o
-7 -5 4 14.339 8.438 2.008 o
-7 -5 5 2.499 3.652 1.707 o
-7 -5 6 6.700 6.006 1.602 o
-7 -5 7 0.139 2.248 1.564 o
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-7 -4 5 27.833 31.830 2.779 o
-7 -4 6 176.069 186.017 6.493 o
-7 -4 7 198.233 201.907 7.928 o
-7 -4 8 138.623 136.853 5.679 o
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-7 -4 11 144.155 139.125 8.348 o
-7 -4 12 101.045 98.531 6.065 o
-7 -4 13 7.277 3.215 3.514 o
-7 -4 14 100.045 101.203 13.741 o
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-7 0 3 289.425 284.437 11.812 o
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-7 1 3 184.923 179.218 9.445 o
-7 1 4 180.789 192.153 10.054 o
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-7 1 10 19.336 17.079 4.460 o
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-7 3 0 1.136 2.608 1.559 o
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-7 3 3 10.612 9.901 2.878 o
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8 2 2 20.456 15.809 1.641 o
8 2 3 136.470 139.382 5.751 o
8 2 4 23.681 22.786 2.619 o
8 2 5 111.765 112.158 7.274 o
8 2 6 66.832 65.900 3.789 o
8 2 7 165.217 162.112 8.650 o
8 2 8 28.452 32.950 2.997 o
8 2 9 37.339 30.444 3.407 o
8 2 10 12.812 11.187 3.105 o
8 2 11 26.161 26.020 4.344 o
8 2 12 8.205 6.521 4.998 o
8 3 0 343.980 346.159 10.273 o
8 3 1 16.308 19.933 3.281 o
8 3 2 265.859 265.034 9.028 o
8 3 3 19.682 20.602 3.085 o
8 3 4 27.407 24.195 2.425 o
8 3 6 1.282 1.094 1.426 o
8 3 7 38.799 39.082 5.142 o
8 3 8 8.101 8.704 3.387 o
8 3 9 0.060 0.671 1.908 o
8 3 10 122.410 124.328 6.137 o
8 3 11 71.863 76.684 6.858 o
8 3 12 25.256 21.526 7.286 o
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8 4 1 92.517 87.422 4.485 o
8 4 2 233.702 226.600 8.034 o
8 4 3 0.621 0.941 1.648 o
8 4 4 6.172 5.276 2.221 o
8 4 5 3.495 2.996 4.664 o
8 4 6 0.003 0.499 1.393 o
8 4 7 220.426 227.713 12.375 o
8 4 8 1.427 2.562 1.867 o
8 4 9 14.189 10.476 2.396 o
8 4 10 47.265 46.210 4.286 o
8 4 11 19.570 10.673 3.782 o
8 4 12 17.123 14.490 5.857 o
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8 5 1 247.206 263.675 9.057 o
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8 5 3 121.250 121.518 5.576 o
8 5 4 7.940 8.208 2.545 o
8 5 5 75.804 79.052 5.698 o
8 5 6 58.643 57.010 7.563 o
8 5 7 13.487 9.751 5.568 o
8 5 8 0.515 2.975 3.009 o
8 5 9 43.337 45.518 4.720 o
8 5 10 41.108 33.866 7.708 o
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8 6 1 79.638 79.944 4.976 o
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8 6 3 30.698 29.239 2.928 o
8 6 4 4.319 4.953 2.075 o
8 6 5 27.152 23.728 3.186 o
8 6 6 37.439 38.215 9.844 o
8 6 7 20.062 13.105 3.376 o
8 6 8 19.044 18.370 5.574 o
8 6 9 35.504 27.132 7.998 o
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8 7 1 77.207 67.770 5.932 o
8 7 2 57.537 49.563 3.861 o
8 7 3 115.611 120.740 6.110 o
8 7 4 138.444 140.304 12.046 o
8 7 5 1.095 1.925 1.972 o
8 7 6 120.689 111.022 6.930 o
8 7 7 155.551 164.758 10.208 o
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8 8 2 13.781 10.081 4.985 o
8 8 3 102.933 104.162 6.081 o
8 8 5 4.659 5.657 5.611 o
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9 -1 4 119.291 104.893 10.250 o
9 -1 5 111.440 106.700 7.953 o
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9 0 3 0.560 0.048 2.226 o
9 0 4 25.516 34.820 4.431 o
9 0 5 129.239 119.205 7.972 o
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9 1 1 0.040 0.288 2.866 o
9 1 2 60.010 55.738 4.676 o
9 1 3 241.970 251.410 10.187 o
9 1 4 68.859 73.414 5.280 o
9 1 5 17.656 19.356 3.314 o
9 1 6 19.610 18.548 3.283 o
9 1 7 1.728 5.514 2.575 o
9 1 8 11.494 6.540 3.435 o
9 1 9 49.417 27.877 7.876 o
9 2 0 26.347 19.043 2.707 o
9 2 1 5.456 2.798 1.622 o
9 2 3 17.861 16.616 3.896 o
9 2 4 29.268 30.627 3.307 o
9 2 5 158.693 154.626 7.215 o
9 2 6 0.995 2.188 2.548 o
9 2 7 54.188 57.060 6.907 o
9 2 8 39.709 34.002 4.405 o
9 2 9 43.534 49.215 10.750 o
9 3 0 133.405 126.096 11.991 o
9 3 1 21.211 24.020 3.624 o
9 3 2 4.954 6.684 2.235 o
9 3 4 0.016 2.120 1.932 o
9 3 5 40.497 41.292 4.838 o
9 3 7 1.290 3.284 2.386 o
9 3 8 44.598 49.218 4.425 o
9 3 9 39.166 39.283 6.927 o
9 3 10 46.722 37.146 6.770 o
9 4 0 17.804 17.824 4.180 o
9 4 1 139.496 149.613 7.461 o
9 4 2 0.816 1.742 2.043 o
9 4 3 1.860 4.403 2.413 o
9 4 4 69.224 77.346 5.439 o
9 4 5 57.444 30.400 6.925 o
9 4 6 14.704 16.222 4.196 o
9 4 7 5.777 4.167 2.741 o
9 4 8 4.609 0.000 5.399 o
9 4 9 71.475 59.561 10.687 o
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9 5 1 73.058 74.038 5.225 o
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9 5 3 94.161 96.050 6.186 o
9 5 4 36.661 34.297 4.360 o
9 5 5 2.647 1.305 2.489 o
9 5 6 15.774 16.741 4.425 o
9 6 0 3.345 2.415 2.838 o
9 6 1 0.710 1.299 2.024 o
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9 6 5 34.397 31.740 4.121 o
9 6 6 109.636 121.335 14.768 o
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10 1 1 212.779 205.715 17.778 o
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10 2 2 7.524 6.067 5.529 o
10 2 3 134.155 155.884 29.195 o
10 2 4 43.660 48.802 23.855 o
10 2 5 1.597 2.569 4.209 o
10 2 6 1.567 7.498 6.971 o
10 3 0 17.518 7.941 3.796 o
10 3 1 66.420 50.577 22.597 o
10 3 2 7.136 5.119 3.491 o
10 3 3 8.470 9.570 3.915 o
10 3 4 103.881 111.022 11.008 o
10 3 6 25.069 18.622 6.157 o
10 4 0 21.569 24.948 9.807 o
10 4 1 45.545 46.506 20.255 o
10 4 2 118.118 114.033 9.568 o
10 4 3 157.119 161.279 8.863 o
10 4 4 343.365 343.950 15.027 o
10 4 5 41.944 28.693 9.847 o
10 5 0 0.746 4.053 5.974 o
10 5 1 96.502 87.891 8.969 o
10 5 2 114.772 100.140 9.392 o
10 5 3 21.514 18.681 4.932 o
10 5 4 26.517 20.215 12.868 o
10 6 2 83.503 77.352 7.029 o
10 6 3 22.778 15.589 6.038 o