#------------------------------------------------------------------------------
#$Date: 2022-11-09 05:05:03 +0200 (Wed, 09 Nov 2022) $
#$Revision: 279134 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/42/2244212.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_2244212
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.040(4)
_cell_angle_beta                 77.874(5)
_cell_angle_gamma                87.780(4)
_cell_length_a                   7.6940(19)
_cell_length_b                   15.013(4)
_cell_length_c                   15.281(4)
_cell_volume                     1631.3(7)
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_cod_data_source_file            vm2273Isup2.hkl
_cod_data_source_block           I
_shelx_refln_list_code           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_f_squared_weight
_refln_observed_status
-9 -7 1 20.574 33.608 17.235 13.837 o
-9 -6 1 106.774 111.676 11.668 25.776 o
-9 -6 2 118.015 116.448 11.512 25.861 o
-9 -5 1 34.620 29.957 9.892 40.306 o
-9 -5 2 54.998 51.141 8.741 48.244 o
-9 -4 1 332.108 300.181 13.526 12.983 o
-9 -4 2 5.014 7.091 7.531 72.404 o
-9 -4 3 74.903 66.960 8.986 43.693 o
-9 -3 1 14.348 1.097 7.030 81.894 o
-9 -3 2 36.987 37.772 8.239 56.132 o
-9 -3 3 15.384 15.795 7.683 67.874 o
-9 -3 4 4.963 2.473 7.884 66.383 o
-9 -2 1 186.937 194.360 10.861 23.613 o
-9 -2 2 436.159 446.370 16.832 8.023 o
-9 -2 3 13.598 4.411 7.299 75.981 o
-9 -2 4 1.988 -17.720 8.754 54.218 o
-9 -1 1 69.538 61.179 7.880 55.369 o
-9 -1 2 0.031 -7.221 6.766 90.976 o
-9 -1 3 107.708 96.326 11.225 27.777 o
-9 -1 4 76.249 96.453 13.420 21.073 o
-9 -1 5 2.813 -2.456 9.380 47.198 o
-9 0 1 17.927 18.802 7.583 69.095 o
-9 0 2 257.751 250.433 25.421 5.626 o
-9 0 3 41.874 58.853 9.881 39.239 o
-9 0 4 87.157 94.252 9.272 39.508 o
-9 0 5 3.949 -1.045 7.484 73.879 o
-9 1 1 15.014 14.365 6.411 96.152 o
-9 1 2 60.026 54.858 7.717 59.027 o
-9 1 3 352.761 384.999 28.076 4.347 o
-9 1 4 0.097 -8.551 7.719 69.890 o
-9 1 5 36.468 49.015 11.941 27.839 o
-9 2 1 8.769 13.912 6.571 93.159 o
-9 2 2 7.601 14.020 6.571 93.399 o
-9 2 3 0.028 -14.771 6.472 99.418 o
-9 2 4 17.593 33.719 7.132 76.468 o
-9 2 5 129.523 118.198 11.761 24.526 o
-9 3 1 16.741 16.265 7.836 65.176 o
-9 3 2 38.187 37.188 7.299 69.733 o
-9 3 3 3.340 6.491 6.245 105.124 o
-9 3 4 63.449 72.800 7.929 54.838 o
-9 3 5 3.018 4.966 6.898 86.592 o
-9 4 1 24.150 17.738 9.687 42.815 o
-9 4 2 1.802 9.181 6.042 112.247 o
-9 4 3 176.040 186.167 9.987 27.146 o
-9 4 4 4.670 16.417 6.826 87.074 o
-9 4 5 23.491 36.704 9.600 43.086 o
-9 5 1 56.889 55.611 6.742 74.347 o
-9 5 2 11.370 -1.257 6.696 90.693 o
-9 5 3 26.304 32.626 7.059 76.535 o
-9 5 4 20.314 18.491 7.027 79.474 o
-9 5 5 14.245 10.957 6.885 84.405 o
-9 6 1 59.568 70.710 7.586 59.678 o
-9 6 2 121.853 114.693 10.521 29.765 o
-9 6 3 11.678 15.534 6.362 98.248 o
-9 6 4 19.083 24.024 6.969 80.439 o
-9 7 1 2.573 5.216 6.007 113.889 o
-9 7 2 9.539 15.969 6.276 101.333 o
-9 7 3 8.615 9.493 7.076 81.103 o
-9 7 4 9.969 8.831 6.598 92.711 o
-9 8 1 13.684 10.201 6.102 106.581 o
-9 8 2 20.934 21.021 6.581 89.452 o
-9 8 3 159.713 159.421 24.129 6.641 o
-8 -10 1 15.426 19.992 8.460 56.183 o
-8 -9 1 2.566 8.121 7.819 67.433 o
-8 -9 2 13.107 16.492 9.204 47.962 o
-8 -8 1 61.070 55.198 8.875 46.290 o
-8 -8 2 1.235 -0.808 8.194 61.931 o
-8 -8 3 20.860 15.019 8.093 60.891 o
-8 -7 1 143.228 137.380 10.553 28.003 o
-8 -7 2 3.658 -4.726 7.510 73.398 o
-8 -7 3 19.797 36.715 10.199 38.538 o
-8 -7 4 15.202 15.966 14.926 18.502 o
-8 -6 1 13.442 10.575 6.881 84.680 o
-8 -6 2 58.571 59.931 8.552 49.387 o
-8 -6 3 16.095 12.387 7.616 69.148 o
-8 -6 4 3.457 2.086 11.941 29.125 o
-8 -6 5 5.621 -15.874 11.299 32.489 o
-8 -5 1 1.087 -3.852 7.843 67.590 o
-8 -5 2 56.788 62.182 9.329 42.453 o
-8 -5 3 130.763 126.714 10.957 27.243 o
-8 -5 4 45.921 42.558 8.537 51.555 o
-8 -5 5 67.832 58.496 8.999 44.504 o
-8 -5 6 2.238 -6.791 8.239 61.170 o
-8 -4 1 1.930 0.239 6.717 91.936 o
-8 -4 2 12.503 31.884 7.287 74.371 o
-8 -4 3 142.303 128.948 9.692 32.044 o
-8 -4 4 88.638 72.473 8.955 42.578 o
-8 -4 5 131.756 132.850 10.367 29.474 o
-8 -4 6 81.491 89.092 9.804 36.550 o
-8 -3 1 745.964 743.628 20.323 4.082 o
-8 -3 2 379.816 370.838 14.501 10.656 o
-8 -3 3 0.065 1.893 6.434 100.387 o
-8 -3 4 36.883 31.195 11.990 27.833 o
-8 -3 5 14.729 12.328 6.712 88.399 o
-8 -3 6 32.315 30.186 7.065 75.572 o
-8 -3 7 110.406 108.090 9.603 35.282 o
-8 -2 1 2.604 3.627 5.361 142.893 o
-8 -2 2 0.322 4.360 5.109 158.166 o
-8 -2 3 1.828 -1.190 5.324 146.049 o
-8 -2 4 5.361 10.477 5.821 119.384 o
-8 -2 5 146.585 146.269 8.733 35.997 o
-8 -2 6 0.289 -9.698 6.196 108.400 o
-8 -2 7 6.387 0.155 6.872 87.070 o
-8 -1 1 31.068 29.163 5.313 125.449 o
-8 -1 2 21.887 24.156 5.571 120.462 o
-8 -1 3 91.234 110.023 9.249 38.767 o
-8 -1 4 66.076 73.843 7.331 61.831 o
-8 -1 5 56.796 55.306 7.076 68.733 o
-8 -1 6 78.549 64.882 7.998 52.720 o
-8 -1 7 1.719 -5.340 7.755 69.063 o
-8 -1 8 19.737 14.986 7.751 66.271 o
-8 0 1 1.652 4.152 4.856 174.061 o
-8 0 2 9.394 2.799 4.988 160.749 o
-8 0 3 13.350 14.905 5.368 134.904 o
-8 0 4 15.691 16.290 5.808 115.287 o
-8 0 5 253.487 264.464 12.340 16.832 o
-8 0 6 48.460 48.938 8.707 49.253 o
-8 0 7 2.989 0.312 6.932 86.147 o
-8 0 8 37.946 49.139 9.653 41.469 o
-8 1 1 195.834 188.196 8.875 29.953 o
-8 1 2 206.404 208.420 9.483 26.509 o
-8 1 3 26.385 27.851 5.996 103.463 o
-8 1 4 38.245 41.992 7.136 72.167 o
-8 1 5 26.991 18.208 7.203 74.793 o
-8 1 6 58.760 59.172 7.591 60.559 o
-8 1 7 14.826 4.504 6.837 86.040 o
-8 1 8 29.579 28.695 7.598 66.648 o
-8 2 1 159.886 158.671 10.352 27.402 o
-8 2 2 2.147 6.739 5.917 117.252 o
-8 2 3 24.392 25.677 6.501 90.159 o
-8 2 4 0.040 3.404 6.930 86.438 o
-8 2 5 25.332 22.958 7.203 74.678 o
-8 2 6 27.450 15.949 7.390 71.401 o
-8 2 7 5.844 6.578 7.494 73.040 o
-8 2 8 35.949 39.128 8.552 52.443 o
-8 2 9 7.886 12.947 8.339 58.715 o
-8 3 1 293.660 323.999 12.459 14.845 o
-8 3 2 88.227 91.548 7.688 53.057 o
-8 3 3 48.351 46.166 6.874 74.669 o
-8 3 4 4.424 3.840 5.772 122.843 o
-8 3 5 166.798 176.707 9.420 30.136 o
-8 3 6 183.965 172.265 11.798 21.560 o
-8 3 7 26.519 20.457 6.943 79.982 o
-8 3 8 2.209 7.852 7.938 65.506 o
-8 3 9 81.748 74.644 8.844 43.967 o
-8 4 1 175.025 173.630 9.240 30.436 o
-8 4 2 209.390 216.929 9.503 26.030 o
-8 4 3 0.091 -7.990 5.329 146.587 o
-8 4 4 78.520 76.727 7.839 53.704 o
-8 4 5 20.502 30.575 6.594 88.177 o
-8 4 6 19.660 23.894 6.888 82.125 o
-8 4 7 13.847 4.240 6.609 92.081 o
-8 4 8 4.258 7.252 7.123 80.895 o
-8 4 9 11.503 5.658 7.160 79.102 o
-8 5 1 544.032 527.540 28.027 3.709 o
-8 5 2 617.251 602.015 15.975 6.126 o
-8 5 3 6.883 7.661 5.517 132.400 o
-8 5 4 1.426 -0.831 5.703 127.528 o
-8 5 5 42.246 54.241 7.502 64.566 o
-8 5 6 41.980 45.181 7.277 68.860 o
-8 5 7 0.522 -1.813 6.302 104.743 o
-8 5 8 163.561 167.770 10.362 26.944 o
-8 5 9 77.323 58.366 8.853 44.975 o
-8 6 1 90.459 102.654 7.032 59.148 o
-8 6 2 49.873 68.977 6.528 78.388 o
-8 6 3 341.187 328.953 14.195 11.871 o
-8 6 4 52.864 58.927 6.865 72.663 o
-8 6 5 355.348 359.265 13.303 12.202 o
-8 6 6 2.753 -3.860 6.332 103.224 o
-8 6 7 17.523 11.693 6.850 84.553 o
-8 6 8 52.577 51.607 8.092 55.482 o
-8 7 1 0.011 -3.311 4.970 168.588 o
-8 7 2 12.346 12.173 6.122 106.012 o
-8 7 3 12.030 21.715 6.001 108.770 o
-8 7 4 5.290 3.644 5.899 117.438 o
-8 7 5 141.334 153.906 9.176 33.789 o
-8 7 6 37.012 36.140 7.217 71.437 o
-8 7 7 0.864 7.728 6.901 86.656 o
-8 7 8 22.918 18.501 7.480 70.259 o
-8 8 1 6.787 11.484 5.449 134.851 o
-8 8 2 640.274 607.911 21.703 4.538 o
-8 8 3 219.758 228.062 16.257 12.263 o
-8 8 4 4.544 11.091 7.339 75.979 o
-8 8 5 198.722 205.443 15.929 13.104 o
-8 8 6 20.489 10.408 7.159 77.346 o
-8 8 7 80.370 99.162 8.956 42.152 o
-8 8 8 5.395 -0.533 7.178 80.054 o
-8 9 1 87.475 93.711 10.662 31.280 o
-8 9 2 86.873 97.010 8.424 45.953 o
-8 9 3 0.257 1.245 6.769 90.724 o
-8 9 4 26.944 22.835 6.531 89.134 o
-8 9 5 63.048 72.841 9.378 41.257 o
-8 9 6 1.078 5.668 6.489 98.082 o
-8 9 7 27.432 18.499 7.101 76.720 o
-8 10 1 2.341 1.887 7.308 77.533 o
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-8 10 3 16.165 7.414 6.151 104.665 o
-8 10 4 52.087 67.225 9.566 40.735 o
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-7 -9 2 64.695 71.683 8.127 52.557 o
-7 -9 3 0.004 -17.419 6.323 104.156 o
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-7 -7 1 334.311 325.785 20.332 7.457 o
-7 -7 2 376.759 398.868 15.341 9.869 o
-7 -7 3 300.983 294.775 13.375 13.841 o
-7 -7 4 7.521 8.650 7.419 74.142 o
-7 -7 5 24.109 10.962 7.737 66.213 o
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-7 -6 1 139.394 140.000 8.751 36.762 o
-7 -6 2 163.169 156.352 9.870 29.155 o
-7 -6 3 21.354 15.423 6.936 81.532 o
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-7 -6 5 3.046 5.463 7.390 75.513 o
-7 -6 6 114.481 111.566 10.036 32.573 o
-7 -6 7 3.348 -8.559 7.702 69.848 o
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-7 -5 1 76.744 72.498 12.162 25.503 o
-7 -5 2 54.559 56.457 7.445 63.403 o
-7 -5 3 1083.880 1098.510 23.369 2.347 o
-7 -5 4 2.236 5.811 5.752 124.111 o
-7 -5 5 46.535 31.216 7.778 61.531 o
-7 -5 6 1.236 -1.931 9.080 50.447 o
-7 -5 7 0.016 -6.963 7.541 73.226 o
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-7 -4 4 200.182 187.342 9.009 29.180 o
-7 -4 5 2.488 1.052 5.760 124.499 o
-7 -4 6 0.267 -1.625 7.060 83.508 o
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-7 -3 2 59.035 54.044 5.766 94.590 o
-7 -3 3 700.280 693.152 16.724 5.089 o
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-7 -3 5 28.212 24.003 6.196 97.567 o
-7 -3 6 124.773 129.562 8.334 41.173 o
-7 -3 7 14.420 11.376 7.203 77.306 o
-7 -3 8 1.127 7.483 8.831 53.095 o
-7 -3 9 182.569 186.333 9.577 28.242 o
-7 -2 1 41.226 42.646 5.071 126.351 o
-7 -2 2 80.684 74.728 5.879 81.837 o
-7 -2 3 10.165 17.818 5.285 139.760 o
-7 -2 4 44.876 47.763 6.027 93.683 o
-7 -2 5 38.275 35.445 6.027 97.635 o
-7 -2 6 85.998 87.791 7.376 57.063 o
-7 -2 7 71.913 74.924 8.191 50.891 o
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-7 -2 10 225.579 230.527 10.423 22.328 o
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-7 -1 3 10.467 4.407 4.836 169.339 o
-7 -1 4 605.477 591.311 17.087 5.929 o
-7 -1 5 58.543 63.892 8.027 54.851 o
-7 -1 6 0.435 2.977 5.541 134.856 o
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-7 -1 8 3.737 9.029 5.875 118.017 o
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-7 0 11 77.820 78.845 16.666 14.169 o
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-7 6 10 158.307 173.498 10.454 26.734 o
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