#------------------------------------------------------------------------------
#$Date: 2022-01-16 18:04:45 +0200 (Sun, 16 Jan 2022) $
#$Revision: 272081 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/59/1565990.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1565990
_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                91.260(2)
_cell_angle_beta                 99.324(2)
_cell_angle_gamma                111.144(3)
_cell_length_a                   9.8822(3)
_cell_length_b                   10.8076(4)
_cell_length_c                   19.0586(4)
_cell_volume                     1866.23(11)
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_cod_data_source_file            cmpd4.fcf
_cod_data_source_block           adanour
_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
-12 3 3 1.889 20.403 12.128 301.852 o
-12 3 4 137.750 189.477 20.403 67.798 o
-12 3 5 130.770 100.517 17.050 95.865 o
-12 3 6 701.028 675.154 35.242 11.880 o
-12 4 2 540.745 483.788 36.312 15.623 o
-12 4 3 4.097 -3.219 8.382 644.269 o
-12 4 4 281.516 305.984 18.661 45.903 o
-12 4 5 0.936 -6.567 13.554 257.013 o
-12 4 6 32.813 26.482 10.879 297.819 o
-12 5 1 10.117 22.383 7.947 584.525 o
-12 5 2 7.393 5.775 9.060 523.610 o
-12 5 3 43.117 51.294 9.908 292.830 o
-12 5 4 74.767 70.223 17.478 114.148 o
-12 5 5 170.462 172.093 15.007 86.452 o
-12 5 6 955.220 992.026 33.105 7.903 o
-12 5 7 9.682 33.815 12.484 265.587 o
-12 6 1 3.985 -0.856 10.701 402.675 o
-12 6 2 153.220 130.587 13.312 108.293 o
-12 6 3 32.840 45.285 9.675 329.838 o
-12 6 4 249.306 234.952 17.125 57.320 o
-12 6 5 0.424 4.011 7.283 861.964 o
-12 6 6 43.614 32.062 12.663 220.856 o
-12 6 7 389.684 370.861 21.319 31.522 o
-11 0 1 280.837 237.488 27.323 35.084 o
-11 0 2 290.853 302.692 30.034 29.544 o
-11 0 3 229.363 274.442 28.536 35.179 o
-11 0 4 53.555 66.488 16.836 129.296 o
-11 0 5 351.014 291.278 28.036 29.207 o
-11 0 6 68.712 68.350 14.232 155.877 o
-11 0 7 55.279 51.150 14.482 165.538 o
-11 0 8 386.319 410.842 30.819 23.160 o
-11 0 9 540.977 545.744 33.743 15.972 o
-11 1 1 0.173 4.423 14.125 235.360 o
-11 1 2 29.402 25.967 14.268 196.829 o
-11 1 3 377.670 436.096 38.809 18.131 o
-11 1 4 71.693 96.237 21.045 83.944 o
-11 1 5 106.568 123.274 22.258 69.621 o
-11 1 6 50.035 61.851 16.907 130.733 o
-11 1 7 570.309 562.152 40.235 13.208 o
-11 1 8 8.944 20.118 14.553 208.194 o
-11 1 9 89.577 108.079 17.906 100.272 o
-11 1 10 40.659 41.448 13.554 197.695 o
-11 1 11 85.639 83.395 15.552 127.063 o
-11 2 1 607.293 558.040 30.673 15.558 o
-11 2 2 38.973 47.334 19.333 109.968 o
-11 2 3 218.552 236.219 24.648 43.918 o
-11 2 4 254.262 291.117 22.768 42.190 o
-11 2 5 587.207 558.022 30.408 16.058 o
-11 2 6 8.339 6.716 16.836 161.757 o
-11 2 7 36.834 10.844 12.413 247.882 o
-11 2 8 404.858 482.039 36.954 18.059 o
-11 2 9 255.041 231.101 18.664 53.257 o
-11 2 10 51.949 49.222 11.416 234.308 o
-11 2 11 14.954 5.422 12.199 289.825 o
-11 2 12 224.330 195.255 21.973 51.211 o
-11 3 1 0.110 9.920 10.181 439.877 o
-11 3 2 37.342 40.087 12.024 241.123 o
-11 3 3 210.659 226.765 22.275 50.264 o
-11 3 4 15.468 21.661 11.553 304.196 o
-11 3 5 50.875 72.669 14.547 160.551 o
-11 3 6 173.438 157.551 21.973 59.365 o
-11 3 7 967.310 931.118 56.144 5.966 o
-11 3 8 39.298 30.890 15.909 156.750 o
-11 3 9 4.716 11.624 11.452 339.103 o
-11 3 10 122.292 106.842 14.657 115.344 o
-11 3 11 8.145 -4.075 15.837 184.132 o
-11 3 12 8.388 15.409 11.486 326.232 o
-11 4 1 354.922 376.831 21.930 32.882 o
-11 4 2 77.816 74.185 16.045 126.980 o
-11 4 3 15.222 2.198 14.767 204.646 o
-11 4 4 242.862 256.130 23.291 43.695 o
-11 4 5 1034.650 1059.530 64.705 4.845 o
-11 4 6 1.049 -2.996 14.482 225.165 o
-11 4 7 8.346 15.806 10.643 373.823 o
-11 4 8 1575.210 1631.880 52.176 3.206 o
-11 4 9 16.127 17.582 8.887 473.418 o
-11 4 10 4.721 2.659 7.657 745.981 o
-11 4 11 1227.040 1181.360 49.045 4.874 o
-11 4 12 472.559 459.495 34.029 18.249 o
-11 5 1 8.657 16.523 16.051 174.458 o
-11 5 2 298.118 319.300 25.044 34.674 o
-11 5 3 415.547 414.809 28.345 23.788 o
-11 5 4 9.963 16.127 17.050 155.049 o
-11 5 5 552.461 562.584 32.030 16.182 o
-11 5 6 121.567 112.730 16.292 101.998 o
-11 5 7 769.161 793.777 50.579 8.025 o
-11 5 8 38.425 33.764 11.293 267.124 o
-11 5 9 21.749 14.099 16.444 160.694 o
-11 5 10 522.769 478.900 26.333 20.285 o
-11 5 11 591.436 578.298 29.581 16.023 o
-11 5 12 13.787 11.771 13.055 253.599 o
-11 5 13 164.681 143.106 19.190 72.118 o
-11 6 1 791.006 861.344 70.733 5.492 o
-11 6 2 294.294 297.600 39.165 21.177 o
-11 6 3 13.081 46.469 13.034 235.344 o
-11 6 4 1.055 10.683 11.753 330.726 o
-11 6 5 1030.630 1028.450 43.227 6.455 o
-11 6 6 54.408 48.215 14.006 175.395 o
-11 6 7 211.008 150.086 22.472 53.853 o
-11 6 8 2.598 0.569 20.867 108.310 o
-11 6 9 9.250 29.356 20.474 107.885 o
-11 6 10 19.296 22.241 11.048 319.945 o
-11 6 11 164.794 143.606 25.040 51.717 o
-11 6 12 551.209 457.641 33.957 16.577 o
-11 7 1 108.379 105.125 15.679 112.522 o
-11 7 2 327.677 331.413 24.817 32.816 o
-11 7 3 1482.680 1453.920 50.210 3.659 o
-11 7 4 415.879 394.514 26.152 25.708 o
-11 7 5 8.153 23.776 22.793 88.398 o
-11 7 6 620.301 595.860 31.080 14.814 o
-11 7 7 686.799 686.059 32.625 12.562 o
-11 7 8 557.689 530.502 45.108 12.162 o
-11 7 9 20.197 30.943 9.315 402.696 o
-11 7 10 501.852 518.026 27.548 19.771 o
-11 7 11 220.725 169.957 16.224 70.232 o
-11 8 1 290.293 346.868 15.865 47.110 o
-11 8 2 6.739 14.105 10.430 394.376 o
-11 8 3 46.822 26.896 16.230 148.924 o
-11 8 4 84.133 127.117 15.388 120.222 o
-11 8 5 481.810 484.988 22.623 23.410 o
-11 8 6 0.022 17.076 10.720 388.804 o
-11 8 7 23.257 17.673 11.977 277.095 o
-11 8 8 133.544 144.336 14.642 104.192 o
-11 8 9 177.426 152.666 24.541 51.494 o
-11 8 10 149.374 137.823 20.439 69.931 o
-11 9 1 2.197 10.124 8.807 567.859 o
-11 9 2 5.482 28.230 10.002 407.001 o
-11 9 3 492.739 481.516 56.501 10.009 o
-11 9 4 0.004 28.988 10.130 413.505 o
-11 9 5 74.688 75.190 13.014 168.062 o
-11 9 6 299.543 301.086 38.702 21.363 o
-11 9 7 128.226 91.385 18.334 89.490 o
-10 -2 1 67.050 67.487 17.264 119.362 o
-10 -2 2 86.400 57.642 15.267 135.704 o
-10 -2 3 20.709 38.890 7.401 527.015 o
-10 -2 4 42.928 37.437 7.893 399.498 o
-10 -2 5 120.161 131.443 9.678 155.650 o
-10 -2 6 234.555 254.954 16.831 58.738 o
-10 -2 7 1.382 4.838 9.559 501.891 o
-10 -2 8 66.588 61.227 9.638 252.319 o
-10 -2 9 235.182 279.985 16.817 56.816 o
-10 -2 10 130.016 151.024 12.197 121.834 o
-10 -1 1 403.972 352.201 37.952 18.934 o
-10 -1 2 70.286 69.128 21.045 86.708 o
-10 -1 3 4.723 20.120 10.815 366.845 o
-10 -1 4 692.536 726.417 36.613 11.378 o
-10 -1 5 358.154 343.599 18.603 37.309 o
-10 -1 6 12.598 0.541 9.096 507.702 o
-10 -1 7 48.507 43.991 13.269 196.206 o
-10 -1 8 301.382 279.605 19.088 44.530 o
-10 -1 9 44.438 47.558 10.574 270.956 o
-10 -1 10 256.712 262.004 24.220 40.686 o
-10 -1 11 647.572 769.016 28.530 13.417 o
-10 -1 12 4.485 18.072 7.489 704.485 o
-10 -1 13 20.330 44.302 13.626 212.551 o
-10 0 1 157.742 115.569 25.111 53.484 o
-10 0 2 368.639 325.806 38.666 19.559 o
-10 0 3 268.110 276.154 36.383 24.398 o
-10 0 4 144.593 180.345 30.390 39.173 o
-10 0 5 195.198 214.303 32.602 32.288 o
-10 0 6 1465.820 1599.990 81.041 2.710 o
-10 0 7 8.831 7.951 12.342 291.023 o
-10 0 8 70.781 88.639 30.034 46.566 o
-10 0 9 450.870 431.613 24.597 24.567 o
-10 0 10 80.058 84.550 17.692 108.237 o
-10 0 11 0.115 15.210 9.495 491.434 o
-10 0 12 49.894 57.778 10.627 253.042 o
-10 0 13 352.614 359.520 19.646 35.995 o
-10 0 14 262.377 316.246 27.394 33.804 o
-10 1 1 821.423 725.947 59.639 6.775 o
-10 1 2 911.302 834.026 64.062 5.711 o
-10 1 3 100.044 59.283 18.905 96.439 o
-10 1 4 1386.180 1485.420 84.037 2.820 o
-10 1 5 215.980 207.152 22.342 50.572 o
-10 1 6 202.982 176.504 20.982 57.460 o
-10 1 7 242.033 253.681 24.070 42.422 o
-10 1 8 727.385 776.660 39.163 10.219 o
-10 1 9 2.372 5.019 10.075 449.483 o
-10 1 10 390.519 449.847 52.006 12.245 o
-10 1 11 781.328 806.489 52.720 7.621 o
-10 1 12 234.599 210.649 17.250 61.087 o
-10 1 13 60.561 65.275 11.003 224.172 o
-10 1 14 1.097 21.687 14.197 224.274 o
-10 1 15 495.725 440.876 30.890 19.429 o
-10 2 1 44.714 45.788 14.754 169.191 o
-10 2 2 9.158 18.787 16.872 157.937 o
-10 2 3 370.509 355.951 29.978 25.304 o
-10 2 4 30.596 30.049 12.115 253.294 o
-10 2 5 937.839 979.764 55.074 6.081 o
-10 2 6 1557.970 1580.710 61.292 3.073 o
-10 2 7 1.283 3.871 12.323 306.958 o
-10 2 8 433.411 523.492 34.588 18.145 o
-10 2 9 657.780 660.814 53.005 8.884 o
-10 2 10 17.638 19.119 15.766 174.457 o
-10 2 11 12.998 17.430 9.985 401.772 o
-10 2 12 48.040 6.679 10.896 287.760 o
-10 2 13 1011.110 980.945 38.380 7.097 o
-10 2 14 18.713 29.452 11.020 315.360 o
-10 2 15 235.469 267.736 24.612 41.408 o
-10 3 1 17.105 30.129 14.945 188.817 o
-10 3 2 157.587 133.406 24.077 55.813 o
-10 3 3 1162.690 1066.900 52.292 5.153 o
-10 3 4 423.662 440.327 34.635 19.328 o
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-10 3 6 7.871 4.264 12.861 273.074 o
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-10 3 8 523.882 558.657 38.309 14.551 o
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-10 3 11 1056.760 1141.220 57.071 5.118 o
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-10 3 14 64.848 46.462 11.904 209.447 o
-10 3 15 604.836 588.233 26.499 16.583 o
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-10 4 3 196.760 201.749 33.601 31.075 o
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-10 4 6 117.182 131.662 22.401 66.917 o
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-10 4 11 97.079 78.162 14.972 129.311 o
-10 4 12 111.522 125.981 18.584 87.822 o
-10 4 13 1120.940 994.610 59.925 4.971 o
-10 4 14 66.588 56.215 16.408 131.203 o
-10 4 15 71.763 72.481 18.976 101.365 o
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-10 5 1 18.955 25.355 14.291 204.833 o
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-10 5 4 2387.630 2468.510 80.974 1.448 o
-10 5 5 0.258 -15.623 16.693 170.015 o
-10 5 6 41.168 27.485 14.209 188.557 o
-10 5 7 820.922 772.631 41.877 8.929 o
-10 5 8 130.883 130.020 19.589 77.787 o
-10 5 9 6.870 10.728 16.515 167.620 o
-10 5 10 429.038 515.844 32.473 19.396 o
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-10 5 12 5.310 30.163 13.839 227.222 o
-10 5 13 74.961 53.913 14.660 150.325 o
-10 5 14 22.899 9.345 13.483 230.898 o
-10 5 15 183.732 193.614 24.541 48.996 o
-10 5 16 12.127 35.670 13.412 230.618 o
-10 6 1 65.051 47.805 13.602 175.177 o
-10 6 2 247.070 258.579 48.404 16.366 o
-10 6 3 325.923 313.041 28.175 29.725 o
-10 6 4 13.598 0.587 12.836 268.940 o
-10 6 5 755.133 781.318 41.843 9.480 o
-10 6 6 745.451 783.718 42.694 9.422 o
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-10 6 9 218.249 209.001 26.288 41.749 o
-10 6 10 7.238 10.469 11.021 359.812 o
-10 6 11 103.988 94.807 42.732 23.843 o
-10 6 12 7.731 31.035 13.497 234.902 o
-10 6 13 1147.020 1022.940 42.435 5.916 o
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-10 7 6 8.715 -4.025 20.902 106.772 o
-10 7 7 720.602 778.031 56.572 7.553 o
-10 7 8 51.034 50.156 18.941 110.186 o
-10 7 9 137.302 142.540 19.153 77.484 o
-10 7 10 0.081 30.509 12.796 268.646 o
-10 7 11 1016.750 1067.140 45.176 6.279 o
-10 7 12 3.452 -9.236 14.838 212.631 o
-10 7 13 50.391 23.123 24.327 73.115 o
-10 7 14 227.479 215.830 17.248 61.814 o
-10 8 1 233.197 232.323 23.354 45.452 o
-10 8 2 568.412 583.391 34.577 14.817 o
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-10 8 11 59.687 45.119 12.468 202.911 o
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-10 9 11 380.857 363.188 31.318 23.770 o
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-10 10 4 0.065 -14.086 17.014 163.753 o
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-10 10 7 22.410 -3.567 10.022 397.198 o
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-10 11 3 72.381 75.388 13.733 158.728 o
-9 -4 1 38.775 22.397 25.183 69.845 o
-9 -4 2 0.737 9.962 11.878 325.309 o
-9 -4 3 21.330 26.209 23.471 81.649 o
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-9 -4 6 9.730 5.572 16.907 160.063 o
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-9 -3 4 0.169 2.919 8.947 582.739 o
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-9 -3 9 25.912 38.115 7.918 462.637 o
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-9 -1 14 81.950 84.016 19.618 92.616 o
-9 -1 15 24.205 32.836 26.610 63.753 o
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