#------------------------------------------------------------------------------
#$Date: 2024-08-09 04:47:06 +0300 (Fri, 09 Aug 2024) $
#$Revision: 294066 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/25/2312570.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_2312570
_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                109.125(3)
_cell_angle_beta                 104.376(3)
_cell_angle_gamma                93.224(3)
_cell_length_a                   5.2222(2)
_cell_length_b                   7.3322(2)
_cell_length_c                   9.2293(3)
_cell_volume                     319.76(2)
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_cod_data_source_file            dg3057MCosup3.hkl
_cod_data_source_block           MCo
_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
-8 -4 3 0.244 1.165 0.777 85.609 o
-8 -4 4 19.669 22.153 3.104 5.146 o
-8 -4 5 16.667 15.508 1.136 30.722 o
-8 -4 6 2.486 3.763 0.606 125.206 o
-8 -4 7 38.011 37.820 1.930 10.312 o
-8 -4 8 0.270 0.386 0.418 291.184 o
-8 -3 2 8.948 8.604 2.002 12.472 o
-8 -3 3 4.801 5.689 0.872 60.974 o
-8 -3 4 6.006 5.410 0.831 64.745 o
-8 -3 5 13.647 14.496 1.273 26.821 o
-8 -3 6 9.129 8.366 0.722 73.272 o
-8 -3 7 9.579 9.260 0.764 66.192 o
-8 -3 8 0.583 -0.051 0.352 398.016 o
-8 -3 9 47.983 43.599 1.854 9.844 o
-8 -3 10 17.946 15.845 1.955 12.268 o
-8 -2 1 11.216 9.782 1.113 35.267 o
-8 -2 2 1.445 1.510 0.567 150.681 o
-8 -2 3 39.531 39.285 1.698 12.126 o
-8 -2 4 35.719 34.567 1.571 14.188 o
-8 -2 5 12.291 10.996 0.897 48.427 o
-8 -2 6 40.715 38.170 2.083 9.011 o
-8 -2 7 2.986 2.818 0.471 189.114 o
-8 -2 8 4.404 4.325 0.545 137.283 o
-8 -2 9 15.566 15.321 0.972 39.388 o
-8 -2 10 8.420 8.836 1.459 22.679 o
-8 -1 1 3.644 3.021 0.521 155.022 o
-8 -1 2 21.356 18.793 1.167 27.126 o
-8 -1 3 19.202 19.390 1.184 27.369 o
-8 -1 4 37.264 37.031 1.790 11.593 o
-8 -1 5 40.473 39.899 2.126 8.724 o
-8 -1 6 33.352 36.493 2.005 10.133 o
-8 -1 7 0.201 0.386 0.684 110.872 o
-8 -1 8 17.263 18.406 1.215 27.167 o
-8 -1 9 12.620 10.504 0.957 43.727 o
-8 -1 10 2.210 0.871 0.510 177.837 o
-8 0 1 2.823 1.493 0.454 207.389 o
-8 0 2 20.266 18.559 1.363 21.888 o
-8 0 3 7.584 7.154 0.734 75.419 o
-8 0 4 37.704 35.081 2.392 7.452 o
-8 0 5 23.541 22.530 1.574 16.657 o
-8 0 6 12.318 10.662 1.732 15.994 o
-8 0 7 10.428 11.022 1.125 34.880 o
-8 0 8 7.700 6.018 0.743 74.383 o
-8 0 9 6.484 6.135 0.654 93.819 o
-8 0 10 29.097 29.095 3.273 4.507 o
-8 1 1 3.474 3.931 0.622 115.171 o
-8 1 2 0.552 0.524 0.354 387.552 o
-8 1 3 7.340 6.579 1.419 24.217 o
-8 1 4 9.107 8.479 0.795 63.448 o
-8 1 5 37.417 35.653 1.596 13.601 o
-8 1 6 5.813 4.639 0.571 119.891 o
-8 1 7 14.301 12.463 1.171 30.738 o
-8 1 8 58.420 57.658 2.939 4.643 o
-8 1 9 10.250 10.916 1.172 32.643 o
-8 2 1 13.928 13.573 1.023 37.978 o
-8 2 2 0.773 -0.588 0.624 131.022 o
-8 2 3 19.260 17.957 1.138 29.128 o
-8 2 4 9.133 8.527 0.716 74.136 o
-8 2 5 17.998 17.038 0.975 37.125 o
-8 2 6 8.487 9.106 0.746 70.612 o
-8 2 7 18.322 19.610 1.067 32.186 o
-8 2 8 16.487 16.189 1.016 36.203 o
-8 2 9 27.882 28.352 2.259 8.781 o
-8 3 1 12.154 11.538 1.684 16.825 o
-8 3 2 11.038 12.085 0.977 43.282 o
-8 3 3 10.524 10.165 0.890 51.111 o
-8 3 4 22.138 20.529 1.090 29.185 o
-8 3 5 1.452 1.782 0.565 151.120 o
-8 3 6 0.650 0.692 0.432 264.499 o
-8 3 7 31.052 33.076 1.416 17.290 o
-8 3 8 4.155 3.148 1.059 43.783 o
-8 4 1 12.044 10.936 0.948 44.763 o
-8 4 2 19.992 21.788 1.301 23.327 o
-8 4 3 9.961 8.981 0.858 55.064 o
-8 4 4 13.464 13.052 0.903 46.259 o
-8 4 5 0.256 0.022 0.401 319.271 o
-8 4 6 1.828 2.118 1.034 47.488 o
-8 4 7 3.047 1.965 0.828 71.011 o
-8 5 1 1.741 2.711 0.557 151.466 o
-8 5 2 14.223 14.613 1.106 33.386 o
-8 5 3 23.610 22.309 1.334 21.412 o
-8 5 4 3.117 3.384 0.617 118.983 o
-8 6 1 4.952 3.632 1.109 39.627 o
-8 6 2 8.950 8.858 1.509 21.199 o
-7 -7 7 25.042 25.487 1.836 12.746 o
-7 -7 8 6.357 7.563 1.061 41.522 o
-7 -6 3 29.467 31.145 1.623 14.624 o
-7 -6 4 2.391 3.242 0.699 97.595 o
-7 -6 5 49.857 53.485 2.688 5.607 o
-7 -6 6 50.344 45.282 1.916 9.198 o
-7 -6 7 0.489 0.613 0.317 477.338 o
-7 -6 8 38.047 37.548 1.204 18.679 o
-7 -6 9 0.198 0.630 0.306 530.933 o
-7 -6 10 0.205 0.966 0.420 286.202 o
-7 -6 11 16.662 17.005 2.163 10.266 o
-7 -5 1 13.082 12.990 1.278 26.983 o
-7 -5 2 38.297 38.435 1.766 11.663 o
-7 -5 3 9.414 10.039 1.498 21.358 o
-7 -5 4 17.724 18.115 1.430 20.908 o
-7 -5 5 9.852 9.838 0.893 51.623 o
-7 -5 6 21.408 22.027 1.114 28.481 o
-7 -5 7 25.029 24.132 0.925 33.069 o
-7 -5 8 15.106 14.640 0.678 63.238 o
-7 -5 9 0.552 0.317 0.331 441.899 o
-7 -5 10 33.265 34.368 1.457 16.131 o
-7 -5 11 13.672 12.053 1.044 37.277 o
-7 -4 1 33.885 34.302 1.562 14.600 o
-7 -4 2 7.002 6.151 0.867 58.689 o
-7 -4 3 2.009 2.726 0.550 153.053 o
-7 -4 4 18.245 19.721 1.196 27.308 o
-7 -4 5 22.113 21.398 0.940 35.004 o
-7 -4 6 30.246 29.156 1.092 24.381 o
-7 -4 7 57.166 52.698 1.229 13.045 o
-7 -4 8 20.959 20.547 0.840 41.014 o
-7 -4 9 20.394 18.710 1.018 33.204 o
-7 -4 10 17.638 18.032 1.060 33.129 o
-7 -4 11 9.637 9.300 0.802 61.490 o
-7 -4 12 38.840 42.197 3.471 3.885 o
-7 -3 1 57.872 58.190 2.498 5.911 o
-7 -3 2 1.337 1.893 0.567 150.722 o
-7 -3 3 14.940 14.150 0.953 41.309 o
-7 -3 4 5.365 4.458 0.674 94.175 o
-7 -3 5 20.883 18.922 0.862 40.295 o
-7 -3 6 47.881 44.860 1.179 15.918 o
-7 -3 7 79.198 77.353 1.637 7.424 o
-7 -3 8 7.300 7.045 0.567 110.940 o
-7 -3 9 37.966 37.347 1.393 15.925 o
-7 -3 10 59.770 59.689 1.884 8.295 o
-7 -3 11 10.241 9.873 0.912 49.545 o
-7 -3 12 1.520 0.399 0.471 213.842 o
-7 -2 1 24.952 23.370 1.227 23.563 o
-7 -2 2 17.600 17.517 1.061 33.150 o
-7 -2 3 44.508 42.164 2.023 9.048 o
-7 -2 4 3.028 2.329 0.403 242.425 o
-7 -2 5 72.971 73.443 1.830 7.274 o
-7 -2 6 20.081 19.459 0.762 46.858 o
-7 -2 7 17.028 16.059 0.884 43.344 o
-7 -2 8 21.216 19.601 0.877 39.094 o
-7 -2 9 11.577 12.831 0.967 43.357 o
-7 -2 10 11.605 11.607 0.858 52.332 o
-7 -2 11 55.652 55.891 1.886 8.692 o
-7 -2 12 1.666 1.941 0.511 179.297 o
-7 -1 1 68.865 66.091 2.068 6.790 o
-7 -1 2 48.951 46.255 1.683 10.905 o
-7 -1 3 14.146 14.883 0.952 41.811 o
-7 -1 4 23.971 23.914 1.005 30.761 o
-7 -1 5 4.356 4.092 0.385 226.260 o
-7 -1 6 31.651 30.578 1.137 22.636 o
-7 -1 7 1.712 1.659 0.363 322.598 o
-7 -1 8 0.268 0.195 0.260 726.841 o
-7 -1 9 86.848 84.706 2.496 4.621 o
-7 -1 10 25.728 25.089 1.069 27.524 o
-7 -1 11 19.569 20.385 1.144 28.468 o
-7 -1 12 29.582 31.720 2.780 6.032 o
-7 0 1 13.791 11.803 0.875 48.420 o
-7 0 2 49.572 47.956 1.697 10.680 o
-7 0 3 5.457 5.096 0.486 152.919 o
-7 0 4 66.758 67.991 1.863 7.694 o
-7 0 5 20.313 19.800 0.795 44.419 o
-7 0 6 33.503 32.684 1.157 21.344 o
-7 0 7 3.896 3.893 0.452 188.062 o
-7 0 8 12.479 12.198 0.709 66.184 o
-7 0 9 14.159 14.520 0.795 53.631 o
-7 0 10 30.276 29.907 1.219 21.383 o
-7 0 11 33.711 35.292 1.489 15.552 o
-7 1 1 17.350 16.469 0.831 46.376 o
-7 1 2 21.605 19.018 0.891 38.202 o
-7 1 3 34.472 32.815 1.157 21.011 o
-7 1 4 44.224 42.199 1.138 17.561 o
-7 1 5 97.723 92.609 2.040 5.059 o
-7 1 6 26.419 27.873 1.107 25.745 o
-7 1 7 0.538 0.108 0.252 737.476 o
-7 1 8 58.304 57.119 1.731 9.296 o
-7 1 9 3.397 3.264 0.549 143.508 o
-7 1 10 23.528 24.182 1.094 27.881 o
-7 1 11 6.265 7.544 0.878 57.951 o
-7 2 1 15.985 14.762 0.797 51.067 o
-7 2 2 17.285 14.405 1.211 27.725 o
-7 2 3 46.549 47.899 2.220 7.703 o
-7 2 4 46.699 45.332 1.265 15.187 o
-7 2 5 97.855 97.322 1.930 5.212 o
-7 2 6 13.660 15.363 0.761 57.093 o
-7 2 7 14.569 16.010 1.159 30.662 o
-7 2 8 9.918 10.640 0.780 63.042 o
-7 2 9 0.928 0.521 0.380 328.319 o
-7 2 10 21.712 19.505 1.290 23.280 o
-7 3 1 32.307 31.739 1.259 19.811 o
-7 3 2 0.452 0.151 0.248 765.954 o
-7 3 3 15.595 17.079 1.068 34.071 o
-7 3 4 54.165 53.244 1.413 12.061 o
-7 3 5 10.163 11.213 0.674 76.349 o
-7 3 6 6.355 5.373 0.572 116.000 o
-7 3 7 46.161 45.907 1.573 12.173 o
-7 3 8 2.773 2.945 0.489 179.627 o
-7 3 9 44.763 44.230 1.466 13.467 o
-7 3 10 4.761 4.495 0.650 101.942 o
-7 4 1 5.573 5.131 0.592 113.975 o
-7 4 2 2.609 2.351 0.464 199.492 o
-7 4 3 5.244 4.700 0.660 97.483 o
-7 4 4 20.301 19.671 0.885 39.442 o
-7 4 5 12.536 11.617 0.701 67.359 o
-7 4 6 14.287 14.369 0.899 45.361 o
-7 4 7 22.280 21.703 1.128 27.660 o
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-7 5 3 27.137 29.732 1.440 17.914 o
-7 5 4 3.601 3.586 0.505 161.858 o
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-7 5 6 15.214 14.905 0.944 41.425 o
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-7 6 4 10.253 10.200 0.931 47.872 o
-7 6 5 4.250 5.243 0.722 86.129 o
-7 6 6 2.834 3.151 0.705 94.966 o
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-7 7 1 11.041 10.655 1.180 31.949 o
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-7 7 4 5.387 4.930 0.686 91.083 o
-7 7 5 1.068 0.602 0.631 126.230 o
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-7 8 2 6.513 6.093 1.284 29.434 o
-6 -8 3 15.543 15.886 1.473 20.473 o
-6 -8 4 10.438 10.871 0.855 54.177 o
-6 -8 5 0.412 0.440 0.419 286.359 o
-6 -8 6 25.216 26.725 1.292 21.570 o
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-6 -8 8 11.884 12.181 0.671 72.123 o
-6 -8 9 50.645 54.518 1.394 12.703 o
-6 -8 10 11.027 9.729 0.919 48.226 o
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-6 -7 2 13.990 16.870 1.033 36.828 o
-6 -7 3 51.790 55.459 1.846 9.259 o
-6 -7 4 10.515 11.791 0.980 43.520 o
-6 -7 5 22.713 21.463 1.280 23.075 o
-6 -7 6 6.377 5.446 0.510 135.977 o
-6 -7 7 12.798 12.627 0.696 66.819 o
-6 -7 8 23.092 22.858 0.930 34.444 o
-6 -7 9 23.107 22.634 0.864 37.376 o
-6 -7 10 0.190 -0.097 0.292 597.938 o
-6 -7 11 22.166 23.075 1.063 29.776 o
-6 -7 12 20.920 20.431 2.214 9.577 o
-6 -6 1 7.709 8.008 0.840 60.319 o
-6 -6 2 88.297 88.021 3.078 3.549 o
-6 -6 3 34.507 32.618 1.545 14.796 o
-6 -6 4 0.805 0.801 0.398 303.573 o
-6 -6 5 12.169 10.702 0.671 72.438 o
-6 -6 6 2.454 2.123 0.358 304.381 o
-6 -6 7 17.083 16.791 0.759 51.851 o
-6 -6 8 16.885 16.877 0.769 51.323 o
-6 -6 9 12.245 12.410 0.614 79.050 o
-6 -6 10 21.247 20.179 0.791 43.522 o
-6 -6 11 17.552 15.940 0.977 37.565 o
-6 -6 12 13.371 13.689 0.933 44.013 o
-6 -5 1 5.092 5.661 0.684 91.643 o
-6 -5 2 93.221 94.007 2.322 4.663 o
-6 -5 3 16.980 17.353 1.083 32.580 o
-6 -5 4 33.915 32.330 1.076 22.930 o
-6 -5 5 7.577 6.937 0.466 140.761 o
-6 -5 6 10.974 10.724 0.575 90.856 o
-6 -5 7 13.682 13.372 0.655 69.465 o
-6 -5 8 50.536 50.195 1.266 14.112 o
-6 -5 9 3.843 3.653 0.356 263.206 o
-6 -5 10 12.178 12.362 0.662 72.649 o
-6 -5 11 94.570 92.847 2.364 4.548 o
-6 -5 12 33.802 34.894 1.466 15.874 o
-6 -5 13 11.311 11.321 1.258 28.452 o
-6 -4 1 70.701 70.847 2.666 4.874 o
-6 -4 2 17.363 15.205 1.007 36.300 o
-6 -4 3 23.562 23.615 1.144 26.379 o
-6 -4 4 83.457 81.734 1.520 7.379 o
-6 -4 5 8.294 8.493 0.490 125.483 o
-6 -4 6 158.770 158.233 3.490 1.937 o
-6 -4 7 45.917 43.856 1.295 15.107 o
-6 -4 8 32.849 32.730 0.975 25.663 o
-6 -4 9 22.271 20.945 0.746 44.769 o
-6 -4 10 7.763 7.454 0.568 108.148 o
-6 -4 11 3.798 3.473 0.499 163.529 o
-6 -4 12 38.174 36.787 1.504 14.496 o
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-6 -3 1 40.299 41.045 1.498 14.021 o
-6 -3 2 90.634 92.959 2.292 4.829 o
-6 -3 3 83.341 80.986 1.845 6.418 o
-6 -3 4 55.273 53.254 1.172 13.848 o
-6 -3 5 119.051 114.657 1.798 4.353 o
-6 -3 6 39.641 37.936 1.095 19.949 o
-6 -3 7 96.141 96.744 1.810 5.552 o
-6 -3 8 20.357 20.600 0.762 46.157 o
-6 -3 9 12.219 12.691 0.950 44.097 o
-6 -3 10 59.208 57.383 1.757 9.062 o
-6 -3 11 11.282 9.779 0.768 62.604 o
-6 -3 12 10.539 10.436 0.830 56.712 o
-6 -3 13 22.139 22.467 1.400 20.285 o
-6 -2 1 58.028 56.102 1.740 9.301 o
-6 -2 2 12.177 12.506 0.810 55.739 o
-6 -2 3 45.825 43.544 1.083 17.727 o
-6 -2 4 3.182 2.763 0.338 304.927 o
-6 -2 5 89.666 87.592 1.504 6.831 o
-6 -2 6 52.283 52.198 1.246 13.846 o
-6 -2 7 111.612 114.487 3.070 3.003 o
-6 -2 8 14.278 13.869 0.765 56.471 o
-6 -2 9 25.127 24.373 1.020 29.517 o
-6 -2 10 15.811 14.919 0.886 44.660 o
-6 -2 11 7.190 6.289 0.637 95.210 o
-6 -2 12 40.771 42.380 1.606 12.740 o
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-6 -1 4 5.989 5.473 0.395 191.366 o
-6 -1 5 18.433 17.603 0.786 47.879 o
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-6 2 4 36.150 35.309 0.930 24.767 o
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-6 2 6 18.127 17.723 0.661 57.831 o
-6 2 7 5.395 5.783 0.461 162.767 o
-6 2 8 12.517 13.880 0.648 72.705 o
-6 2 9 1.981 2.183 0.323 371.221 o
-6 2 10 65.552 66.774 1.838 7.912 o
-6 2 11 18.989 18.886 1.044 32.893 o
-6 2 12 11.033 11.512 0.984 42.928 o
-6 3 1 196.675 198.225 5.386 1.029 o
-6 3 2 0.321 0.059 0.180 1411.920 o
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-6 3 4 122.776 122.212 3.130 2.733 o
-6 3 5 20.948 21.138 0.937 36.026 o
-6 3 6 15.791 15.204 0.716 58.051 o
-6 3 7 14.444 13.680 0.739 58.722 o
-6 3 8 1.570 1.512 0.328 386.187 o
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-6 3 11 6.711 6.164 0.662 91.380 o
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