#------------------------------------------------------------------------------
#$Date: 2024-08-09 04:47:06 +0300 (Fri, 09 Aug 2024) $
#$Revision: 294066 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/25/2312572.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_2312572
_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                108.753(3)
_cell_angle_beta                 104.626(3)
_cell_angle_gamma                93.202(3)
_cell_length_a                   5.2307(2)
_cell_length_b                   7.3259(3)
_cell_length_c                   9.2246(3)
_cell_volume                     320.23(2)
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_cod_data_source_file            dg3057MZnsup5.hkl
_cod_data_source_block           MZn
_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 -5 7 6.361 8.749 1.092 42.194 o
-8 -4 2 13.594 13.466 1.840 14.226 o
-8 -4 3 0.362 1.382 0.768 94.580 o
-8 -4 4 22.114 24.673 1.330 17.092 o
-8 -4 5 16.359 16.302 1.270 23.183 o
-8 -4 6 2.068 2.267 0.505 208.169 o
-8 -4 7 35.695 37.709 1.627 8.611 o
-8 -4 8 0.359 -0.489 0.476 245.916 o
-8 -3 1 23.037 23.361 1.771 11.843 o
-8 -3 2 7.184 6.857 0.811 68.996 o
-8 -3 3 7.216 7.905 0.649 96.287 o
-8 -3 4 6.486 8.113 0.984 50.736 o
-8 -3 5 11.366 11.714 0.874 48.413 o
-8 -3 6 10.352 9.170 0.714 67.993 o
-8 -3 7 7.301 8.104 0.762 75.029 o
-8 -3 8 1.097 1.119 0.859 75.392 o
-8 -3 9 47.862 56.128 4.075 2.374 o
-8 -2 1 8.542 8.761 0.685 81.104 o
-8 -2 2 1.887 2.215 0.336 450.802 o
-8 -2 3 38.637 39.913 1.304 9.035 o
-8 -2 4 34.520 35.969 1.384 10.155 o
-8 -2 5 12.760 12.312 0.815 48.650 o
-8 -2 6 37.355 39.876 1.499 8.640 o
-8 -2 7 2.528 2.319 0.597 149.008 o
-8 -2 8 6.840 8.702 0.948 53.338 o
-8 -2 9 14.832 18.983 1.707 15.476 o
-8 -2 10 7.385 9.235 1.676 18.766 o
-8 -1 1 3.005 1.890 0.356 368.536 o
-8 -1 2 24.275 25.122 1.034 19.635 o
-8 -1 3 19.539 20.875 0.952 27.013 o
-8 -1 4 38.351 40.797 1.484 8.407 o
-8 -1 5 39.444 43.246 1.553 7.819 o
-8 -1 6 29.709 29.487 1.286 13.044 o
-8 -1 7 0.346 0.153 0.365 419.585 o
-8 -1 8 18.381 19.352 1.378 19.140 o
-8 -1 9 11.467 12.743 1.145 32.610 o
-8 -1 10 2.193 4.243 1.358 30.016 o
-8 0 1 3.678 3.723 0.432 246.196 o
-8 0 2 20.649 21.235 0.961 25.314 o
-8 0 3 9.694 9.307 0.638 81.425 o
-8 0 4 38.766 40.910 1.500 8.240 o
-8 0 5 23.202 25.401 1.201 18.104 o
-8 0 6 10.745 11.948 0.927 46.016 o
-8 0 7 11.693 12.675 0.846 49.307 o
-8 0 8 8.473 8.096 0.908 53.861 o
-8 0 9 5.389 6.129 0.860 67.451 o
-8 1 1 4.629 5.546 0.552 150.236 o
-8 1 2 0.895 0.920 0.352 442.389 o
-8 1 3 9.466 9.615 0.662 78.849 o
-8 1 4 8.714 9.641 0.742 71.255 o
-8 1 5 34.389 34.664 1.247 10.980 o
-8 1 6 5.365 5.382 0.560 139.798 o
-8 1 7 15.187 16.502 1.111 28.837 o
-8 1 8 54.483 58.142 3.056 3.069 o
-8 1 9 9.502 10.579 0.927 49.151 o
-8 2 1 13.207 12.411 0.805 48.011 o
-8 2 2 1.182 0.678 0.295 616.147 o
-8 2 3 19.523 19.158 1.153 22.690 o
-8 2 4 9.426 10.590 0.690 74.454 o
-8 2 5 15.610 15.319 1.029 31.316 o
-8 2 6 8.714 10.398 0.877 55.512 o
-8 2 7 20.461 22.181 1.312 18.648 o
-8 2 8 14.633 16.811 1.155 27.997 o
-8 3 1 11.885 11.067 0.786 54.004 o
-8 3 2 12.703 14.254 0.981 38.310 o
-8 3 3 10.800 11.428 0.893 48.528 o
-8 3 4 21.883 22.568 1.125 20.643 o
-8 3 5 1.349 1.486 0.651 130.111 o
-8 3 6 1.147 1.733 0.416 315.608 o
-8 3 7 29.657 32.623 1.599 10.664 o
-8 4 1 11.900 13.310 0.951 41.703 o
-8 4 2 21.447 24.496 1.293 18.068 o
-8 4 3 10.981 12.349 0.838 51.996 o
-8 4 4 11.951 12.065 0.848 48.655 o
-8 4 5 0.360 0.199 0.342 475.915 o
-8 4 6 2.453 3.475 0.532 184.448 o
-8 5 1 2.212 3.321 0.529 188.597 o
-8 5 2 14.412 14.479 0.904 38.788 o
-8 5 3 21.918 22.199 1.278 18.192 o
-8 5 4 2.522 2.951 0.546 175.664 o
-8 6 1 5.169 7.129 1.380 28.066 o
-7 -7 5 4.525 3.868 1.187 38.105 o
-7 -7 6 13.575 15.391 1.226 26.997 o
-7 -7 7 20.543 18.935 2.451 7.736 o
-7 -7 8 8.036 7.049 0.988 48.059 o
-7 -7 9 8.877 8.752 1.552 21.176 o
-7 -6 2 39.824 42.950 1.570 7.683 o
-7 -6 3 27.666 29.317 1.403 13.043 o
-7 -6 4 2.946 3.869 0.542 173.497 o
-7 -6 5 51.761 55.467 1.773 4.976 o
-7 -6 6 49.468 50.095 1.673 5.539 o
-7 -6 7 0.867 1.313 0.293 630.982 o
-7 -6 8 35.480 34.872 1.375 9.930 o
-7 -6 9 0.313 0.536 0.420 316.609 o
-7 -6 10 0.389 0.366 0.499 224.131 o
-7 -5 1 17.333 20.753 1.367 19.915 o
-7 -5 2 37.198 38.824 1.585 8.375 o
-7 -5 3 8.431 7.979 0.651 88.011 o
-7 -5 4 23.806 24.010 1.085 19.442 o
-7 -5 5 12.570 11.773 0.761 53.475 o
-7 -5 6 20.960 21.498 0.955 25.010 o
-7 -5 7 26.627 27.907 0.999 17.785 o
-7 -5 8 12.787 12.767 0.795 49.791 o
-7 -5 9 0.472 0.246 0.268 774.446 o
-7 -5 10 33.384 33.546 1.947 7.867 o
-7 -5 11 11.998 9.995 1.000 39.541 o
-7 -4 1 38.075 39.447 1.830 7.267 o
-7 -4 2 5.753 4.986 0.565 134.398 o
-7 -4 3 1.034 1.195 0.309 566.082 o
-7 -4 4 20.482 22.460 0.859 27.617 o
-7 -4 5 24.509 23.476 0.976 20.456 o
-7 -4 6 33.470 34.600 1.466 10.138 o
-7 -4 7 54.851 53.891 1.913 4.459 o
-7 -4 8 18.018 18.267 1.216 22.806 o
-7 -4 9 23.695 24.416 1.280 16.799 o
-7 -4 10 17.805 18.239 1.142 24.748 o
-7 -4 11 8.436 8.245 0.805 64.968 o
-7 -4 12 32.664 33.204 3.128 4.325 o
-7 -3 1 52.267 55.161 1.741 4.972 o
-7 -3 2 1.290 1.365 0.273 704.379 o
-7 -3 3 18.589 17.233 0.736 35.847 o
-7 -3 4 6.929 6.618 0.494 144.405 o
-7 -3 5 26.588 26.511 1.113 16.690 o
-7 -3 6 48.414 48.352 1.711 5.658 o
-7 -3 7 74.947 74.888 2.526 2.440 o
-7 -3 8 8.858 8.757 0.727 73.294 o
-7 -3 9 39.785 42.130 1.474 8.041 o
-7 -3 10 57.032 57.242 2.012 4.083 o
-7 -3 11 10.244 9.797 0.755 63.380 o
-7 -3 12 0.971 0.617 0.338 477.101 o
-7 -2 1 22.023 22.779 0.845 25.655 o
-7 -2 2 19.584 20.840 0.870 29.052 o
-7 -2 3 44.807 45.624 1.295 7.281 o
-7 -2 4 5.729 5.628 0.465 177.840 o
-7 -2 5 77.993 78.066 1.957 2.569 o
-7 -2 6 23.320 24.479 1.677 12.572 o
-7 -2 7 16.886 17.997 1.072 27.740 o
-7 -2 8 23.597 23.225 1.048 20.268 o
-7 -2 9 15.228 15.675 0.995 33.108 o
-7 -2 10 11.049 10.872 0.859 50.687 o
-7 -2 11 48.435 50.942 1.924 5.199 o
-7 -2 12 1.468 1.242 0.483 233.042 o
-7 -1 1 68.537 68.309 1.611 3.393 o
-7 -1 2 53.729 54.986 1.437 5.234 o
-7 -1 3 16.707 16.230 0.852 35.908 o
-7 -1 4 33.074 33.419 1.110 12.409 o
-7 -1 5 5.790 5.979 0.429 195.702 o
-7 -1 6 33.200 32.225 1.406 10.674 o
-7 -1 7 2.033 1.892 0.386 346.808 o
-7 -1 8 0.511 0.582 0.330 508.951 o
-7 -1 9 84.813 88.742 4.008 1.501 o
-7 -1 10 24.289 25.398 1.228 16.991 o
-7 -1 11 17.226 18.059 1.133 25.616 o
-7 -1 12 25.778 27.511 1.703 11.387 o
-7 0 1 16.019 15.755 0.845 37.752 o
-7 0 2 51.696 53.270 1.553 5.376 o
-7 0 3 8.389 7.630 0.483 126.830 o
-7 0 4 70.582 73.910 2.111 2.895 o
-7 0 5 23.705 23.733 0.904 22.361 o
-7 0 6 31.585 29.987 1.755 9.303 o
-7 0 7 4.162 3.742 0.603 134.929 o
-7 0 8 16.870 18.380 1.071 27.709 o
-7 0 9 13.379 14.607 1.181 28.794 o
-7 0 10 29.141 30.831 1.475 11.787 o
-7 0 11 29.547 29.798 2.537 6.198 o
-7 0 12 10.674 11.089 1.345 25.970 o
-7 1 1 19.090 19.298 1.029 25.975 o
-7 1 2 23.477 23.337 0.887 22.972 o
-7 1 3 40.925 42.432 1.353 8.151 o
-7 1 4 47.523 49.443 1.262 6.677 o
-7 1 5 99.541 102.527 2.265 1.627 o
-7 1 6 24.772 26.357 1.126 17.860 o
-7 1 7 1.445 1.680 0.380 369.795 o
-7 1 8 59.559 61.636 3.219 2.680 o
-7 1 9 3.757 5.095 0.717 99.831 o
-7 1 10 22.603 24.666 1.568 13.926 o
-7 1 11 4.770 5.351 1.811 16.705 o
-7 2 1 18.861 18.067 0.865 31.006 o
-7 2 2 18.583 18.397 0.807 33.195 o
-7 2 3 52.794 55.609 1.441 5.347 o
-7 2 4 54.014 56.964 1.765 4.708 o
-7 2 5 94.633 101.452 2.275 1.753 o
-7 2 6 14.636 17.102 1.055 31.393 o
-7 2 7 19.007 20.914 1.194 22.089 o
-7 2 8 9.699 10.089 0.989 44.271 o
-7 2 9 1.478 1.625 0.491 225.819 o
-7 2 10 17.808 16.776 1.312 21.048 o
-7 2 11 1.033 -0.538 0.690 116.843 o
-7 3 1 35.143 33.373 1.101 11.516 o
-7 3 2 0.397 1.086 0.298 622.783 o
-7 3 3 20.755 21.092 0.902 26.510 o
-7 3 4 56.668 59.211 1.932 4.191 o
-7 3 5 9.991 10.551 0.833 56.106 o
-7 3 6 7.464 7.190 0.707 84.016 o
-7 3 7 44.707 46.178 1.816 6.024 o
-7 3 8 2.843 2.654 0.466 231.534 o
-7 3 9 42.352 44.048 1.839 6.378 o
-7 3 10 3.063 2.679 0.679 114.554 o
-7 4 1 5.736 5.628 0.900 61.597 o
-7 4 2 4.537 4.020 0.460 205.475 o
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-7 5 5 4.505 4.184 0.582 140.145 o
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-7 5 8 34.008 38.992 2.944 4.587 o
-7 6 1 13.800 12.868 0.834 44.460 o
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-7 7 4 5.184 4.884 0.664 107.476 o
-7 7 5 1.024 0.619 0.496 224.189 o
-7 8 1 8.384 9.735 1.216 32.969 o
-7 8 2 5.731 5.989 0.964 54.346 o
-6 -8 3 17.411 17.741 1.097 26.439 o
-6 -8 4 10.415 10.817 0.712 66.849 o
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-6 -8 6 27.417 31.166 1.508 12.182 o
-6 -8 7 47.582 49.947 1.932 5.307 o
-6 -8 8 12.854 12.868 1.010 36.911 o
-6 -8 9 46.991 51.871 1.740 5.730 o
-6 -8 10 9.294 9.871 1.652 18.711 o
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-6 -7 2 17.893 19.413 1.171 23.813 o
-6 -7 3 50.343 54.667 1.705 5.279 o
-6 -7 4 9.231 10.824 0.696 74.504 o
-6 -7 5 27.180 28.358 1.110 16.136 o
-6 -7 6 9.154 8.611 0.679 78.823 o
-6 -7 7 14.665 14.933 0.889 38.869 o
-6 -7 8 25.017 27.703 1.214 16.482 o
-6 -7 9 22.021 22.687 1.178 19.627 o
-6 -7 10 0.426 -0.070 0.378 389.615 o
-6 -7 11 22.491 25.643 1.225 18.241 o
-6 -7 12 19.184 20.870 2.321 8.610 o
-6 -6 1 10.011 9.010 0.784 61.608 o
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-6 -6 3 31.679 30.067 1.203 12.685 o
-6 -6 4 1.946 1.367 0.237 839.388 o
-6 -6 5 14.511 14.708 0.641 53.474 o
-6 -6 6 4.124 4.828 0.584 141.930 o
-6 -6 7 20.954 21.254 0.993 24.265 o
-6 -6 8 18.951 18.877 1.107 24.332 o
-6 -6 9 11.149 12.037 0.731 61.111 o
-6 -6 10 23.639 22.931 1.114 19.278 o
-6 -6 11 19.206 20.560 1.075 24.538 o
-6 -6 12 11.804 11.909 0.944 42.664 o
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-6 -5 2 93.325 91.015 2.077 1.879 o
-6 -5 3 18.240 19.663 0.818 33.178 o
-6 -5 4 39.153 36.062 1.016 10.130 o
-6 -5 5 9.700 10.365 0.547 95.346 o
-6 -5 6 17.282 17.636 0.872 33.686 o
-6 -5 7 15.402 15.018 0.689 47.274 o
-6 -5 8 49.536 50.348 1.267 6.259 o
-6 -5 9 4.894 5.365 0.527 159.100 o
-6 -5 10 13.929 15.230 0.900 39.795 o
-6 -5 11 90.146 87.031 2.461 1.879 o
-6 -5 12 32.322 31.681 1.531 10.271 o
-6 -5 13 9.143 8.787 1.081 39.504 o
-6 -4 1 85.370 85.724 2.262 2.106 o
-6 -4 2 20.307 19.465 0.721 32.065 o
-6 -4 3 28.778 27.602 0.857 17.542 o
-6 -4 4 87.175 88.161 1.689 2.213 o
-6 -4 5 13.420 14.146 0.677 55.573 o
-6 -4 6 163.537 161.398 4.601 0.574 o
-6 -4 7 51.672 50.543 1.164 6.044 o
-6 -4 8 32.477 32.797 1.151 12.476 o
-6 -4 9 23.027 22.197 0.912 23.238 o
-6 -4 10 12.042 11.732 0.815 51.004 o
-6 -4 11 4.338 4.967 0.528 165.921 o
-6 -4 12 34.376 36.685 1.600 9.112 o
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-6 -3 1 43.883 44.439 1.092 8.051 o
-6 -3 2 96.475 99.465 1.677 1.844 o
-6 -3 3 93.465 90.939 1.923 1.918 o
-6 -3 4 61.918 61.640 1.299 4.291 o
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-6 -3 6 46.728 44.863 1.131 7.251 o
-6 -3 7 101.588 101.811 2.013 1.631 o
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-6 -3 9 8.024 7.400 0.582 105.688 o
-6 -3 10 60.762 61.766 1.805 3.928 o
-6 -3 11 11.264 11.230 0.858 50.092 o
-6 -3 12 9.958 11.348 0.870 52.528 o
-6 -3 13 18.558 18.818 1.185 22.936 o
-6 -3 14 5.561 6.326 1.562 22.068 o
-6 -2 1 71.068 68.273 1.479 3.296 o
-6 -2 2 16.931 16.858 0.713 40.889 o
-6 -2 3 54.321 55.079 1.418 5.185 o
-6 -2 4 8.168 8.202 0.455 137.116 o
-6 -2 5 102.519 101.203 2.493 1.520 o
-6 -2 6 64.383 64.419 1.461 3.885 o
-6 -2 7 112.484 109.774 2.017 1.371 o
-6 -2 8 14.480 13.378 0.750 47.357 o
-6 -2 9 32.586 31.866 1.341 11.303 o
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-6 -1 2 22.734 22.558 0.765 26.252 o
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-6 1 7 4.145 4.269 0.425 239.910 o
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-6 1 10 111.331 114.912 3.124 1.211 o
-6 1 11 18.097 19.170 1.709 14.304 o
-6 1 12 1.359 0.737 0.354 429.174 o
-6 2 1 80.067 79.440 1.578 2.623 o
-6 2 2 79.056 80.922 1.606 2.654 o
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-6 2 5 44.733 46.579 1.371 7.091 o
-6 2 6 21.032 20.425 0.867 27.041 o
-6 2 7 7.343 7.398 0.631 99.820 o
-6 2 8 13.086 13.635 0.869 43.886 o
-6 2 9 3.229 2.955 0.457 233.425 o
-6 2 10 58.411 58.458 1.974 3.993 o
-6 2 11 15.170 15.292 1.204 26.140 o
-6 2 12 9.724 10.237 1.801 15.857 o
-6 3 1 206.669 205.522 3.050 0.429 o
-6 3 2 0.973 0.939 0.223 1066.630 o
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-6 3 5 23.296 20.943 1.065 20.575 o
-6 3 6 17.581 15.471 0.941 31.330 o
-6 3 7 15.621 15.779 0.931 34.962 o
-6 3 8 2.066 1.679 0.392 337.338 o
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8 -5 0 9.879 9.437 0.808 59.282 o
8 -5 1 5.244 5.347 0.937 58.237 o
8 -4 0 21.230 20.887 1.189 20.285 o
8 -4 1 5.677 5.996 0.653 106.668 o
8 -4 2 13.273 12.200 1.338 24.246 o
8 -3 0 15.776 14.651 0.887 36.759 o
8 -3 1 18.971 17.708 0.987 27.469 o
8 -3 2 17.377 17.982 1.283 21.871 o
8 -2 0 3.898 3.030 0.555 159.295 o
8 -2 1 9.788 9.894 0.976 45.082 o
8 -2 2 31.904 35.736 1.849 8.557 o
8 -1 0 5.969 5.405 0.531 144.697 o
8 -1 1 33.667 36.998 1.567 9.456 o
8 -1 2 8.789 9.480 0.829 60.514 o
8 0 0 4.587 5.062 0.649 115.084 o
8 0 1 36.288 37.581 1.404 9.423 o
8 0 2 1.951 2.592 0.996 55.700 o
8 1 0 25.268 24.894 1.030 18.849 o
8 1 1 4.092 5.313 0.635 122.123 o
8 2 0 26.413 24.174 1.435 13.641 o
8 2 1 0.803 -0.400 0.711 110.091 o