#------------------------------------------------------------------------------
#$Date: 2024-08-09 04:47:06 +0300 (Fri, 09 Aug 2024) $
#$Revision: 294066 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/25/2312571.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_2312571
_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                108.423(3)
_cell_angle_beta                 104.583(3)
_cell_angle_gamma                92.929(3)
_cell_length_a                   5.1780(2)
_cell_length_b                   7.3254(2)
_cell_length_c                   9.1449(4)
_cell_volume                     315.25(2)
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_cod_data_source_file            dg3057MNisup4.hkl
_cod_data_source_block           MNi
_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 4 18.803 19.307 2.270 12.735 o
-8 -4 5 23.331 24.779 1.662 22.831 o
-8 -4 6 1.704 1.009 0.340 578.018 o
-8 -4 7 39.623 41.275 3.179 6.327 o
-8 -3 2 10.847 11.297 1.140 50.165 o
-8 -3 3 5.671 5.127 0.773 110.502 o
-8 -3 4 5.486 5.728 0.844 92.790 o
-8 -3 5 11.854 12.978 1.017 62.100 o
-8 -3 6 9.641 9.365 0.852 89.053 o
-8 -3 7 11.630 12.733 1.237 42.613 o
-8 -3 8 0.773 -0.045 0.580 199.520 o
-8 -3 9 48.739 52.401 4.572 3.094 o
-8 -2 1 14.643 16.145 1.350 35.431 o
-8 -2 2 1.339 0.561 0.434 354.688 o
-8 -2 3 35.534 36.355 1.963 15.793 o
-8 -2 4 39.636 41.020 2.043 14.375 o
-8 -2 5 13.144 14.301 1.047 58.207 o
-8 -2 6 45.985 48.484 2.334 10.965 o
-8 -2 7 5.641 6.598 1.157 49.693 o
-8 -2 8 5.016 4.475 1.405 33.828 o
-8 -2 9 19.741 18.093 1.751 21.102 o
-8 -1 1 5.879 4.920 0.933 76.255 o
-8 -1 2 28.332 26.587 1.664 22.319 o
-8 -1 3 23.765 25.872 1.829 19.000 o
-8 -1 4 42.138 43.971 2.077 13.761 o
-8 -1 5 46.794 52.071 2.387 10.449 o
-8 -1 6 40.709 43.599 2.168 12.820 o
-8 -1 7 0.285 -0.085 0.532 237.108 o
-8 -1 8 16.004 16.459 1.307 37.517 o
-8 -1 9 15.751 14.012 1.220 43.024 o
-8 -1 10 3.571 4.729 1.347 36.879 o
-8 0 1 4.434 3.528 0.627 168.466 o
-8 0 2 24.284 24.802 1.559 25.665 o
-8 0 3 13.331 14.756 1.476 29.987 o
-8 0 4 45.457 46.126 2.216 12.085 o
-8 0 5 30.953 33.055 1.863 17.747 o
-8 0 6 15.373 17.113 1.651 23.908 o
-8 0 7 9.937 11.337 1.934 17.773 o
-8 0 8 6.645 5.449 0.773 110.130 o
-8 0 9 5.296 4.860 0.751 117.123 o
-8 1 1 6.054 6.826 0.821 97.764 o
-8 1 2 1.137 1.110 0.547 224.035 o
-8 1 3 8.704 7.684 0.910 78.967 o
-8 1 4 10.335 10.373 1.140 50.303 o
-8 1 5 41.914 43.743 4.596 3.094 o
-8 1 6 7.310 7.633 1.159 49.276 o
-8 1 7 12.305 12.682 1.436 31.800 o
-8 1 8 63.490 64.503 2.594 8.410 o
-8 1 9 14.908 17.241 1.696 22.712 o
-8 2 1 10.967 10.839 1.334 36.896 o
-8 2 2 0.613 -0.340 0.395 430.309 o
-8 2 3 19.344 19.584 2.344 11.950 o
-8 2 4 12.241 13.755 1.722 22.229 o
-8 2 5 24.471 22.278 2.768 8.561 o
-8 2 6 13.586 14.536 1.555 27.075 o
-8 2 7 23.567 24.514 1.943 16.981 o
-8 2 8 21.775 21.819 1.861 18.581 o
-8 3 1 13.047 14.192 1.159 47.972 o
-8 3 2 11.964 11.388 1.036 60.058 o
-8 3 3 11.795 11.264 2.451 11.090 o
-8 3 4 29.533 32.788 2.243 12.613 o
-8 3 5 4.533 5.106 0.927 77.426 o
-8 3 6 1.202 1.245 0.517 250.153 o
-8 3 7 39.246 42.001 2.536 9.686 o
-8 4 1 15.207 11.697 2.474 10.848 o
-8 4 2 24.363 27.731 3.695 4.840 o
-8 4 3 13.796 16.283 1.732 21.874 o
-8 4 4 17.458 15.650 1.708 22.321 o
-8 4 5 0.773 1.663 0.708 133.771 o
-8 5 1 3.481 3.666 0.860 90.109 o
-8 5 2 15.601 17.196 2.177 13.918 o
-8 5 3 26.581 28.555 2.336 11.794 o
-7 -7 6 14.528 15.298 1.965 17.068 o
-7 -6 2 45.403 47.547 4.463 3.260 o
-7 -6 3 40.804 43.733 2.231 12.167 o
-7 -6 4 3.121 2.096 0.562 210.445 o
-7 -6 5 47.429 50.679 2.382 10.489 o
-7 -6 6 61.314 62.163 2.610 8.409 o
-7 -6 7 0.800 0.040 0.353 538.427 o
-7 -6 8 40.869 42.353 2.072 13.927 o
-7 -6 9 0.711 0.953 0.453 327.071 o
-7 -6 10 0.503 -0.235 0.572 205.251 o
-7 -5 1 18.745 18.130 1.395 32.693 o
-7 -5 2 45.960 46.013 2.234 11.891 o
-7 -5 3 13.980 15.450 1.816 19.936 o
-7 -5 4 23.979 23.300 1.571 25.384 o
-7 -5 5 13.519 13.973 1.202 44.620 o
-7 -5 6 21.809 21.839 1.270 38.113 o
-7 -5 7 25.321 25.224 1.348 33.302 o
-7 -5 8 17.794 19.008 1.139 47.984 o
-7 -5 9 0.992 0.184 0.486 283.426 o
-7 -5 10 28.524 29.187 1.412 29.836 o
-7 -5 11 17.509 16.063 3.265 6.239 o
-7 -4 1 39.207 38.382 1.989 15.168 o
-7 -4 2 11.254 9.970 1.035 60.608 o
-7 -4 3 1.712 1.066 0.413 391.567 o
-7 -4 4 16.960 17.020 1.286 38.521 o
-7 -4 5 26.418 26.148 1.596 24.298 o
-7 -4 6 31.285 32.843 1.490 26.510 o
-7 -4 7 66.502 67.372 1.895 13.539 o
-7 -4 8 25.530 27.155 1.322 34.291 o
-7 -4 9 20.529 21.866 1.197 42.801 o
-7 -4 10 20.912 20.986 1.428 30.839 o
-7 -4 11 9.736 10.829 1.063 57.797 o
-7 -3 1 53.769 55.422 2.357 10.387 o
-7 -3 2 1.531 2.305 0.503 264.199 o
-7 -3 3 18.153 15.622 1.225 42.117 o
-7 -3 4 7.505 7.026 0.838 93.267 o
-7 -3 5 24.444 24.763 1.493 27.789 o
-7 -3 6 54.733 58.168 1.996 13.582 o
-7 -3 7 95.041 95.999 2.958 5.815 o
-7 -3 8 10.714 9.047 0.918 76.755 o
-7 -3 9 37.931 37.238 1.865 17.132 o
-7 -3 10 66.098 68.622 2.606 8.219 o
-7 -3 11 14.761 14.346 1.229 42.542 o
-7 -2 1 29.907 29.244 1.661 22.141 o
-7 -2 2 17.497 16.542 1.225 42.123 o
-7 -2 3 42.924 45.763 2.031 14.224 o
-7 -2 4 4.665 3.390 0.901 82.128 o
-7 -2 5 79.165 79.292 2.614 7.665 o
-7 -2 6 31.981 32.094 1.246 35.920 o
-7 -2 7 25.388 24.243 1.190 41.695 o
-7 -2 8 27.892 29.015 1.631 23.087 o
-7 -2 9 13.764 13.703 1.903 18.225 o
-7 -2 10 10.945 10.969 1.065 57.306 o
-7 -2 11 58.770 65.266 3.185 5.945 o
-7 -1 1 78.239 80.341 4.067 3.636 o
-7 -1 2 62.063 64.463 3.406 5.235 o
-7 -1 3 18.842 19.230 1.335 35.452 o
-7 -1 4 28.122 28.561 1.531 25.899 o
-7 -1 5 5.420 5.945 0.612 174.433 o
-7 -1 6 35.743 38.079 1.322 31.128 o
-7 -1 7 3.188 3.021 0.587 193.145 o
-7 -1 8 0.687 1.074 0.377 471.372 o
-7 -1 9 84.698 85.847 2.867 6.427 o
-7 -1 10 32.413 32.443 1.773 19.352 o
-7 -1 11 25.310 26.380 2.029 15.528 o
-7 0 1 20.884 20.492 2.012 16.041 o
-7 0 2 52.459 54.157 2.913 7.175 o
-7 0 3 5.203 4.442 0.629 166.456 o
-7 0 4 61.036 63.873 1.919 13.804 o
-7 0 5 20.528 20.615 1.064 53.167 o
-7 0 6 34.999 34.823 1.743 19.648 o
-7 0 7 6.047 6.836 0.978 69.183 o
-7 0 8 13.492 13.869 1.111 51.961 o
-7 0 9 18.045 16.530 1.243 40.901 o
-7 0 10 35.967 38.069 1.924 16.296 o
-7 0 11 44.879 45.300 2.671 8.648 o
-7 1 1 21.698 20.612 1.778 20.306 o
-7 1 2 26.278 25.792 2.282 12.385 o
-7 1 3 38.450 39.174 1.719 19.654 o
-7 1 4 43.150 41.572 1.869 16.562 o
-7 1 5 104.569 105.458 3.809 3.752 o
-7 1 6 36.361 38.890 1.825 17.860 o
-7 1 7 0.601 0.285 0.370 489.331 o
-7 1 8 64.128 63.745 2.404 9.539 o
-7 1 9 7.732 7.608 0.883 84.029 o
-7 1 10 30.584 28.641 2.051 14.964 o
-7 1 11 13.193 13.694 1.514 28.575 o
-7 2 1 19.003 21.020 0.938 67.196 o
-7 2 2 20.264 21.251 1.047 54.714 o
-7 2 3 55.118 55.389 2.144 12.127 o
-7 2 4 60.802 61.572 2.832 7.318 o
-7 2 5 120.304 118.112 6.894 1.292 o
-7 2 6 23.333 24.516 1.186 42.455 o
-7 2 7 19.052 19.717 1.149 46.765 o
-7 2 8 14.002 14.868 1.163 47.389 o
-7 2 9 0.559 -0.395 0.390 441.052 o
-7 2 10 25.483 23.249 3.214 6.376 o
-7 3 1 44.602 45.618 1.496 23.487 o
-7 3 2 0.779 0.818 0.250 1067.320 o
-7 3 3 22.070 23.840 1.234 39.893 o
-7 3 4 70.894 71.549 1.926 12.761 o
-7 3 5 18.410 21.070 1.064 53.836 o
-7 3 6 6.631 4.947 0.481 276.808 o
-7 3 7 45.168 43.426 1.397 26.202 o
-7 3 8 2.885 2.944 0.499 266.782 o
-7 3 9 44.906 43.424 1.930 15.495 o
-7 3 10 8.781 9.120 1.022 62.752 o
-7 4 1 6.229 6.833 0.756 114.781 o
-7 4 2 2.799 2.754 0.412 389.476 o
-7 4 3 6.416 5.696 0.519 238.794 o
-7 4 4 23.391 23.177 1.026 55.005 o
-7 4 5 16.147 15.579 0.895 76.293 o
-7 4 6 17.440 18.231 0.988 62.607 o
-7 4 7 28.850 30.956 1.496 26.782 o
-7 4 8 8.969 9.727 1.335 37.090 o
-7 4 9 54.065 55.717 2.458 9.644 o
-7 5 1 0.332 -0.278 0.447 335.801 o
-7 5 2 7.271 5.713 0.635 160.691 o
-7 5 3 28.884 29.007 1.606 23.658 o
-7 5 4 5.864 4.539 0.605 179.046 o
-7 5 5 6.695 5.779 0.674 143.833 o
-7 5 6 20.009 20.947 1.257 39.273 o
-7 5 7 8.904 7.309 0.898 81.014 o
-7 5 8 45.636 54.107 4.212 3.632 o
-7 6 1 12.653 11.975 1.106 52.758 o
-7 6 2 25.682 24.544 1.388 31.599 o
-7 6 3 16.600 16.660 1.152 47.480 o
-7 6 4 15.553 16.042 1.360 34.825 o
-7 6 5 8.568 8.971 0.859 88.140 o
-7 6 6 6.716 6.845 0.873 86.393 o
-7 7 1 15.767 16.149 1.157 47.323 o
-7 7 2 30.451 29.569 1.567 24.528 o
-7 7 3 14.235 15.098 1.139 49.267 o
-7 7 4 8.097 7.275 1.123 52.388 o
-7 7 5 1.403 0.321 0.689 141.159 o
-7 8 1 12.068 13.325 2.090 15.179 o
-7 8 2 8.839 9.927 1.777 21.056 o
-6 -8 2 0.865 -0.376 0.540 229.682 o
-6 -8 3 19.040 17.015 1.793 20.215 o
-6 -8 4 18.105 16.247 1.662 23.473 o
-6 -8 5 0.242 -0.499 0.392 435.287 o
-6 -8 6 25.756 26.371 1.410 30.561 o
-6 -8 7 58.557 61.495 2.150 11.751 o
-6 -8 8 13.786 12.372 1.206 44.421 o
-6 -8 9 57.942 59.755 2.458 9.458 o
-6 -7 1 9.402 9.249 1.014 63.534 o
-6 -7 2 18.372 18.677 1.407 32.169 o
-6 -7 3 58.126 59.563 2.501 9.177 o
-6 -7 4 12.769 14.433 1.700 22.763 o
-6 -7 5 27.599 26.971 1.673 22.136 o
-6 -7 6 9.991 7.686 0.771 108.038 o
-6 -7 7 14.991 14.819 1.013 61.268 o
-6 -7 8 25.628 26.130 1.574 25.018 o
-6 -7 9 30.006 29.501 1.679 21.688 o
-6 -7 10 0.287 0.433 0.547 223.682 o
-6 -7 11 19.818 18.990 1.359 34.131 o
-6 -6 1 10.112 9.215 0.981 67.668 o
-6 -6 2 101.055 104.186 3.996 3.501 o
-6 -6 3 44.708 42.505 2.059 13.884 o
-6 -6 4 1.082 0.716 0.400 418.289 o
-6 -6 5 10.932 11.239 1.058 57.950 o
-6 -6 6 2.925 2.957 0.485 281.419 o
-6 -6 7 16.122 17.018 0.909 73.779 o
-6 -6 8 23.181 23.449 1.187 42.586 o
-6 -6 9 15.647 14.995 0.979 65.071 o
-6 -6 10 23.564 23.793 1.253 38.540 o
-6 -6 11 22.398 23.276 1.303 36.147 o
-6 -6 12 13.835 14.296 1.152 48.371 o
-6 -5 1 9.275 9.192 0.958 71.082 o
-6 -5 2 97.408 93.994 3.111 5.361 o
-6 -5 3 17.843 17.190 1.425 31.550 o
-6 -5 4 38.258 34.373 1.762 19.042 o
-6 -5 5 9.083 8.503 0.888 82.547 o
-6 -5 6 12.169 12.800 0.763 106.508 o
-6 -5 7 15.039 14.182 0.816 91.596 o
-6 -5 8 58.401 56.656 1.837 15.258 o
-6 -5 9 5.999 5.718 0.617 171.350 o
-6 -5 10 11.780 11.881 0.859 85.963 o
-6 -5 11 96.957 100.591 2.634 6.785 o
-6 -5 12 43.141 44.266 2.546 9.493 o
-6 -5 13 17.584 19.787 1.810 19.840 o
-6 -4 1 85.817 83.400 3.333 5.034 o
-6 -4 2 28.138 25.620 1.500 27.078 o
-6 -4 3 28.919 28.297 1.552 25.202 o
-6 -4 4 87.392 86.637 2.735 6.841 o
-6 -4 5 8.610 8.497 0.841 91.888 o
-6 -4 6 153.013 148.431 2.674 4.734 o
-6 -4 7 55.953 54.363 1.563 19.827 o
-6 -4 8 39.006 38.075 1.456 26.015 o
-6 -4 9 29.627 27.218 1.251 36.851 o
-6 -4 10 10.103 9.328 0.768 108.369 o
-6 -4 11 4.667 4.932 0.688 139.627 o
-6 -4 12 44.156 47.888 2.909 7.377 o
-6 -4 13 9.071 9.942 1.785 20.868 o
-6 -3 1 42.160 40.518 1.851 16.959 o
-6 -3 2 97.706 97.407 2.871 6.011 o
-6 -3 3 104.961 98.854 2.868 5.850 o
-6 -3 4 69.296 62.527 2.223 10.619 o
-6 -3 5 138.935 135.130 2.984 4.562 o
-6 -3 6 48.013 45.168 1.379 25.991 o
-6 -3 7 105.906 104.886 2.173 8.250 o
-6 -3 8 29.043 28.128 1.225 38.229 o
-6 -3 9 14.699 15.192 0.958 68.017 o
-6 -3 10 50.891 49.878 2.087 13.059 o
-6 -3 11 13.427 14.079 1.161 47.695 o
-6 -3 12 12.152 13.474 1.454 31.023 o
-6 -3 13 28.022 30.921 2.336 11.740 o
-6 -2 1 78.656 75.994 2.478 8.391 o
-6 -2 2 22.765 22.835 1.320 35.286 o
-6 -2 3 60.706 59.609 2.110 12.046 o
-6 -2 4 5.454 5.464 0.648 156.525 o
-6 -2 5 94.666 90.398 2.182 9.041 o
-6 -2 6 57.262 54.572 1.489 21.030 o
-6 -2 7 118.134 118.812 2.526 6.289 o
-6 -2 8 19.818 19.437 0.996 60.424 o
-6 -2 9 22.624 24.490 1.425 30.542 o
-6 -2 10 18.007 19.232 1.313 36.682 o
-6 -2 11 6.635 6.446 1.026 62.860 o
-6 -2 12 43.953 50.114 2.884 7.479 o
-6 -2 13 16.857 21.532 2.003 16.292 o
-6 -1 1 77.378 80.798 2.482 8.334 o
-6 -1 2 20.494 21.612 1.240 40.127 o
-6 -1 3 12.696 11.972 0.920 75.070 o
-6 -1 4 10.486 9.917 0.698 128.947 o
-6 -1 5 19.708 19.506 0.856 78.874 o
-6 -1 6 129.575 129.930 2.863 5.028 o
-6 -1 7 90.606 93.694 2.169 9.223 o
-6 -1 8 5.412 5.581 0.680 142.383 o
-6 -1 9 136.815 132.795 3.406 3.896 o
-6 -1 10 25.393 25.834 1.504 27.252 o
-6 -1 11 82.105 83.742 3.557 4.550 o
-6 -1 12 23.243 25.678 2.079 14.899 o
-6 -1 13 1.393 1.870 0.739 122.638 o
-6 0 1 29.197 29.802 1.141 42.817 o
-6 0 2 14.592 14.956 1.010 61.706 o
-6 0 3 15.061 14.792 0.973 66.002 o
-6 0 4 17.331 17.165 1.220 42.419 o
-6 0 5 34.459 33.729 1.107 42.369 o
-6 0 6 195.339 203.353 3.991 2.402 o
-6 0 7 55.474 54.850 2.012 13.464 o
-6 0 8 68.984 68.397 2.318 9.833 o
-6 0 9 91.693 91.028 3.296 4.995 o
-6 0 10 5.740 5.808 0.719 127.144 o
-6 0 11 74.729 80.618 3.515 4.737 o
-6 0 12 11.173 12.262 1.456 31.040 o
-6 1 1 79.395 80.844 1.724 13.624 o
-6 1 2 266.709 267.321 3.845 1.834 o
-6 1 3 8.216 9.148 0.616 167.091 o
-6 1 4 47.789 47.988 1.151 33.119 o
-6 1 5 148.566 144.436 3.476 3.586 o
-6 1 6 17.232 18.523 1.152 47.105 o
-6 1 7 4.521 3.986 0.568 204.336 o
-6 1 8 55.367 55.054 2.074 12.812 o
-6 1 9 1.081 0.676 0.317 664.926 o
-6 1 10 110.408 106.262 3.906 3.550 o
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-6 1 12 2.606 2.260 1.468 31.088 o
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-6 2 4 40.380 38.339 1.246 32.976 o
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-6 2 6 22.421 21.320 0.903 69.586 o
-6 2 7 7.094 6.282 0.629 163.790 o
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-6 3 2 2.065 2.262 0.208 1501.310 o
-6 3 3 33.421 33.900 0.975 51.760 o
-6 3 4 128.836 131.393 2.244 6.590 o
-6 3 5 24.485 23.298 0.847 74.986 o
-6 3 6 17.108 15.309 0.711 113.869 o
-6 3 7 14.424 13.914 0.828 89.779 o
-6 3 8 1.588 0.868 0.372 482.889 o
-6 3 9 53.029 53.090 2.781 7.802 o
-6 3 10 39.876 39.023 1.729 19.332 o
-6 3 11 13.578 12.324 1.002 63.440 o
-6 4 1 12.105 13.055 0.600 164.701 o
-6 4 2 6.569 6.289 0.468 289.201 o
-6 4 3 69.577 68.685 1.584 16.868 o
-6 4 4 51.801 49.370 1.363 25.294 o
-6 4 5 91.605 89.379 2.047 9.986 o
-6 4 6 64.358 63.165 1.587 17.787 o
-6 4 7 37.911 41.438 1.448 26.146 o
-6 4 8 1.500 1.515 0.361 510.984 o
-6 4 9 35.816 36.573 1.644 21.634 o
-6 4 10 11.475 11.078 1.076 56.032 o
-6 5 1 3.188 2.767 0.385 443.257 o
-6 5 2 15.531 16.420 1.372 34.235 o
-6 5 3 61.934 63.889 1.980 13.100 o
-6 5 4 59.101 61.499 1.977 13.399 o
-6 5 5 68.165 71.454 2.179 10.787 o
-6 5 6 13.309 13.938 0.977 66.332 o
-6 5 7 17.638 15.844 1.051 56.193 o
-6 5 8 16.100 19.019 1.375 33.876 o
-6 5 9 14.910 18.075 1.765 20.991 o
-6 6 1 1.452 1.621 0.602 184.456 o
-6 6 2 21.485 21.522 1.156 45.392 o
-6 6 3 10.050 9.929 0.888 81.816 o
-6 6 4 13.263 12.059 0.896 78.644 o
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