#------------------------------------------------------------------------------
#$Date: 2024-08-14 04:52:55 +0300 (Wed, 14 Aug 2024) $
#$Revision: 294106 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/25/2312577.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_2312577
_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                102.484(2)
_cell_angle_beta                 108.399(2)
_cell_angle_gamma                113.064(2)
_cell_length_a                   8.3361(2)
_cell_length_b                   9.3089(3)
_cell_length_c                   9.8204(2)
_cell_volume                     612.84(4)
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_cod_data_source_file            vp30392DMAP.DITBBsup3.hkl
_cod_data_source_block           2DMAP.DITBB
_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
-10 1 5 44.291 40.692 3.210 182.235 o
-10 2 3 1786.190 1887.230 40.121 0.412 o
-10 2 5 230.637 218.053 8.297 17.535 o
-10 2 6 308.859 267.073 12.131 10.824 o
-10 3 2 13.750 19.596 2.443 522.590 o
-10 3 3 992.588 1094.400 35.980 1.141 o
-10 3 4 1077.820 990.863 18.382 1.212 o
-10 3 5 21.123 22.820 3.085 352.222 o
-10 3 6 975.992 806.271 17.634 1.545 o
-10 4 2 81.721 82.213 5.386 75.135 o
-10 4 3 73.763 56.931 4.114 101.620 o
-10 4 4 79.559 68.454 4.355 88.162 o
-10 4 5 204.583 164.167 8.349 22.338 o
-10 4 6 264.815 211.641 7.881 15.528 o
-10 5 1 1406.000 1348.600 133.198 0.344 o
-10 5 2 14.133 12.457 3.077 497.030 o
-10 5 3 379.021 293.138 18.208 7.351 o
-10 5 4 305.514 282.722 11.403 10.837 o
-10 5 5 70.865 59.205 5.732 90.606 o
-10 6 1 540.182 483.483 19.852 3.977 o
-10 6 2 432.599 402.444 15.774 5.861 o
-10 6 3 154.537 133.545 8.938 30.609 o
-10 6 4 2348.590 1975.840 111.522 0.224 o
-10 6 5 1311.230 924.503 18.616 0.972 o
-10 7 1 164.378 115.244 7.551 32.469 o
-10 7 3 61.489 52.876 5.028 110.644 o
-10 7 4 69.799 53.751 3.668 112.001 o
-9 -1 4 25.154 27.956 4.156 250.129 o
-9 -1 6 67.212 62.937 4.646 101.459 o
-9 -1 7 336.609 268.726 7.487 10.701 o
-9 0 3 2266.270 2639.090 113.106 0.200 o
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-9 0 5 30.666 40.969 3.318 227.624 o
-9 0 6 1216.690 1241.580 20.575 0.904 o
-9 0 7 466.883 444.542 18.687 4.917 o
-9 0 8 41.418 44.669 6.159 127.863 o
-9 1 2 49.098 48.303 2.787 165.046 o
-9 1 3 207.281 203.007 9.969 19.117 o
-9 1 4 25.831 30.495 5.835 178.269 o
-9 1 5 109.139 107.465 9.322 42.095 o
-9 1 6 538.048 537.654 13.582 4.067 o
-9 1 7 1317.280 1325.640 56.270 0.662 o
-9 1 8 367.673 295.996 18.836 7.431 o
-9 2 1 1537.130 1722.930 67.758 0.458 o
-9 2 2 19.202 27.149 2.409 394.904 o
-9 2 3 460.883 428.728 10.822 5.652 o
-9 2 4 283.877 275.772 14.348 10.953 o
-9 2 5 294.137 280.389 15.894 10.087 o
-9 2 6 827.994 811.520 31.502 1.696 o
-9 2 7 229.445 225.902 8.295 17.330 o
-9 2 8 134.743 118.729 10.734 32.179 o
-9 3 1 1407.520 1493.260 55.153 0.583 o
-9 3 2 674.585 640.401 13.963 2.824 o
-9 3 3 467.445 375.624 24.816 4.722 o
-9 3 4 3284.590 2855.970 91.490 0.136 o
-9 3 5 1943.660 1619.860 60.573 0.378 o
-9 3 6 7.110 12.970 2.740 703.944 o
-9 3 7 396.781 372.832 15.601 6.677 o
-9 3 8 6.748 5.681 2.990 763.908 o
-9 4 1 194.033 184.391 8.570 22.223 o
-9 4 2 32.172 31.286 3.569 233.948 o
-9 4 3 0.646 3.994 2.322 1636.160 o
-9 4 4 394.329 492.011 39.406 3.482 o
-9 4 5 839.652 870.987 72.652 1.004 o
-9 4 6 391.314 327.381 15.975 7.139 o
-9 4 7 441.983 386.230 24.337 4.971 o
-9 5 1 456.533 448.909 19.019 4.979 o
-9 5 2 770.540 763.534 90.892 0.859 o
-9 5 3 53.651 40.421 8.192 88.507 o
-9 5 4 194.035 214.301 20.468 12.742 o
-9 5 5 210.274 217.546 10.480 17.981 o
-9 5 6 832.056 679.886 29.564 1.875 o
-9 5 7 376.997 330.618 19.733 6.798 o
-9 6 1 1085.520 988.931 29.498 1.139 o
-9 6 2 3924.780 3891.040 614.505 0.023 o
-9 6 3 2038.870 2189.050 89.157 0.271 o
-9 6 4 13.593 15.298 4.362 344.431 o
-9 6 5 419.257 389.687 16.079 6.121 o
-9 6 6 74.381 74.268 9.388 58.423 o
-9 7 1 212.834 191.025 10.354 18.906 o
-9 7 2 111.363 112.224 13.689 30.111 o
-9 7 3 524.137 567.820 25.310 3.493 o
-9 7 4 39.263 32.440 3.691 200.755 o
-9 7 5 489.278 374.029 14.807 5.368 o
-9 8 1 70.642 74.569 12.737 43.158 o
-9 8 2 17.976 20.732 5.368 236.337 o
-9 8 3 97.003 72.782 4.985 70.031 o
-9 8 4 353.042 251.472 10.969 9.842 o
-9 9 1 680.768 595.400 27.208 2.553 o
-9 9 2 205.567 176.074 9.298 20.942 o
-9 9 3 1101.600 709.130 17.050 1.404 o
-8 -3 4 795.500 846.809 18.238 1.920 o
-8 -3 6 1200.610 1159.850 24.481 0.944 o
-8 -3 7 307.901 294.773 9.387 10.960 o
-8 -2 3 42.407 40.252 2.440 203.241 o
-8 -2 4 43.000 51.176 3.534 165.659 o
-8 -2 5 4.689 7.406 1.926 1276.020 o
-8 -2 6 435.559 440.897 18.597 5.305 o
-8 -2 7 1204.140 1168.770 20.009 0.952 o
-8 -2 8 283.416 239.513 11.918 12.448 o
-8 -1 1 775.596 805.046 44.698 1.572 o
-8 -1 2 26.317 27.145 2.112 340.549 o
-8 -1 3 289.404 339.682 11.333 10.415 o
-8 -1 4 36.389 37.231 5.824 148.975 o
-8 -1 5 488.108 543.920 16.541 4.346 o
-8 -1 6 1070.640 1147.830 34.464 1.032 o
-8 -1 7 188.936 204.878 8.263 21.895 o
-8 -1 8 49.549 49.615 2.730 162.960 o
-8 -1 9 305.635 325.122 12.311 9.912 o
-8 -1 10 168.045 166.057 10.464 24.471 o
-8 0 1 2844.790 3212.460 152.256 0.126 o
-8 0 2 233.081 270.369 16.206 12.303 o
-8 0 3 423.360 450.822 13.140 5.872 o
-8 0 4 3589.780 3829.200 83.612 0.104 o
-8 0 5 1169.920 1192.390 40.546 0.881 o
-8 0 6 82.323 92.728 7.409 61.344 o
-8 0 7 1084.820 1117.510 39.868 0.997 o
-8 0 8 4.327 11.150 1.989 1120.990 o
-8 0 9 1642.670 1696.200 45.805 0.476 o
-8 0 10 1192.310 1213.390 27.336 0.916 o
-8 1 1 491.187 518.205 20.516 4.198 o
-8 1 2 148.983 169.469 7.680 30.192 o
-8 1 3 10.753 8.646 2.339 750.532 o
-8 1 4 1368.520 1295.170 31.477 0.734 o
-8 1 5 3057.930 2907.680 61.293 0.156 o
-8 1 6 521.552 495.514 18.006 4.183 o
-8 1 7 187.711 189.813 15.662 16.885 o
-8 1 8 562.677 524.541 28.284 3.235 o
-8 1 9 49.191 46.346 5.763 121.992 o
-8 1 10 481.820 521.431 23.799 4.046 o
-8 2 1 592.269 557.048 15.395 3.512 o
-8 2 2 442.159 403.162 15.364 5.758 o
-8 2 3 38.127 46.700 6.134 131.704 o
-8 2 4 191.531 157.004 12.399 20.591 o
-8 2 5 28.601 34.343 5.782 168.952 o
-8 2 6 609.612 598.244 40.222 2.343 o
-8 2 7 731.276 717.147 36.650 1.936 o
-8 2 8 502.585 531.331 31.633 3.360 o
-8 2 9 231.173 214.373 16.743 13.303 o
-8 3 1 1847.890 1734.320 116.694 0.289 o
-8 3 2 6605.250 6693.390 466.889 0.021 o
-8 3 3 1763.730 1827.910 137.325 0.260 o
-8 3 4 45.093 50.236 5.981 121.664 o
-8 3 5 841.030 980.147 55.581 1.177 o
-8 3 6 39.629 56.348 6.243 120.812 o
-8 3 7 1455.900 1510.470 28.301 0.627 o
-8 3 8 2748.070 2697.090 86.228 0.176 o
-8 3 9 49.079 54.774 8.013 88.544 o
-8 3 10 491.068 454.159 20.331 4.499 o
-8 4 1 278.390 265.010 15.768 10.886 o
-8 4 2 480.223 509.046 21.716 4.253 o
-8 4 3 1590.130 1463.600 61.576 0.499 o
-8 4 4 101.533 117.687 8.558 45.045 o
-8 4 5 2002.450 2039.240 63.760 0.318 o
-8 4 6 3028.490 3195.900 64.525 0.148 o
-8 4 7 406.922 403.332 29.301 4.683 o
-8 4 8 101.507 101.879 16.295 26.413 o
-8 4 9 230.235 197.151 13.155 15.755 o
-8 5 1 40.486 34.508 7.091 119.425 o
-8 5 2 13.367 18.170 7.714 153.461 o
-8 5 3 47.911 61.587 12.420 51.617 o
-8 5 4 487.393 533.024 27.190 3.735 o
-8 5 5 311.463 318.437 28.310 6.312 o
-8 5 6 747.673 708.716 16.893 2.312 o
-8 5 7 258.765 226.094 20.122 10.566 o
-8 5 8 22.997 20.157 3.106 346.125 o
-8 6 1 1275.300 1404.100 51.990 0.682 o
-8 6 2 208.384 251.804 29.049 8.106 o
-8 6 3 1492.710 1740.270 47.310 0.519 o
-8 6 4 84.446 90.730 7.888 58.538 o
-8 6 5 709.025 693.478 17.181 2.487 o
-8 6 6 942.047 872.151 30.407 1.429 o
-8 6 7 46.054 37.971 6.099 127.032 o
-8 7 1 655.201 670.921 50.289 1.801 o
-8 7 2 18.403 29.002 11.062 78.615 o
-8 7 3 1759.620 1928.100 55.843 0.392 o
-8 7 4 3495.890 3395.270 46.544 0.121 o
-8 7 5 563.201 458.668 12.738 4.227 o
-8 7 6 272.082 278.901 11.766 12.133 o
-8 8 1 129.952 112.744 10.743 33.520 o
-8 8 2 7.176 21.358 4.555 352.331 o
-8 8 3 310.898 319.761 14.840 9.283 o
-8 8 4 348.755 305.446 8.493 9.524 o
-8 8 5 54.509 43.293 5.681 117.986 o
-8 9 1 2004.780 2058.590 51.025 0.329 o
-8 9 2 398.157 377.652 14.819 6.704 o
-8 9 3 61.994 57.371 5.225 105.266 o
-8 10 1 1289.130 1123.110 39.765 0.819 o
-8 10 2 1545.350 1130.160 23.143 0.694 o
-7 -5 6 419.135 425.634 10.084 6.369 o
-7 -4 3 47.585 51.812 3.275 157.728 o
-7 -4 4 28.680 27.642 2.085 319.992 o
-7 -4 5 249.231 237.864 9.571 15.079 o
-7 -4 6 792.067 801.435 20.613 1.963 o
-7 -4 7 267.587 265.553 6.971 14.010 o
-7 -4 8 1.785 3.555 0.912 3805.960 o
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-7 -3 1 1624.890 1798.940 48.854 0.460 o
-7 -3 2 281.711 307.021 13.455 10.735 o
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-7 -3 4 2485.500 2627.490 38.793 0.223 o
-7 -3 5 740.389 759.481 17.390 2.240 o
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-7 -3 10 1430.050 1351.950 37.732 0.661 o
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-7 -2 7 596.202 562.553 15.639 3.459 o
-7 -2 8 627.708 631.858 32.191 2.523 o
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-7 -2 10 744.242 795.552 21.690 2.098 o
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-7 -1 3 403.450 442.044 15.671 6.007 o
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-7 -1 5 58.454 53.392 4.594 119.198 o
-7 -1 6 143.590 147.001 8.464 32.055 o
-7 -1 7 360.289 398.751 13.760 7.350 o
-7 -1 8 971.134 1014.650 43.931 1.142 o
-7 -1 9 351.901 389.127 18.364 6.941 o
-7 -1 10 31.523 34.414 5.050 183.093 o
-7 -1 11 42.560 41.057 3.819 174.728 o
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-7 0 2 5726.790 5823.250 59.009 0.045 o
-7 0 3 1473.340 1413.590 26.523 0.647 o
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-7 0 6 181.250 155.917 7.024 26.858 o
-7 0 7 2528.550 2568.900 204.373 0.124 o
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-7 0 9 18.601 25.409 4.110 294.467 o
-7 0 10 581.515 615.935 61.113 1.665 o
-7 0 11 468.742 557.250 24.278 3.976 o
-7 1 1 22.538 28.986 2.634 340.163 o
-7 1 2 2479.660 2255.960 38.700 0.246 o
-7 1 3 3919.620 3718.210 106.268 0.092 o
-7 1 4 287.186 265.794 12.580 11.541 o
-7 1 5 1952.770 1710.230 60.419 0.365 o
-7 1 6 3220.170 2982.440 127.654 0.124 o
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-7 1 8 761.394 763.071 44.848 1.635 o
-7 1 9 560.521 630.460 43.024 2.334 o
-7 1 10 214.821 242.769 8.577 17.672 o
-7 1 11 1227.290 1509.760 46.642 0.702 o
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-7 2 4 307.510 308.946 13.589 9.824 o
-7 2 5 974.360 1019.030 62.635 0.948 o
-7 2 6 1493.260 1458.060 81.579 0.472 o
-7 2 7 1479.470 1455.580 65.540 0.528 o
-7 2 8 23.346 25.312 4.691 239.273 o
-7 2 9 46.517 50.807 6.572 110.776 o
-7 2 10 0.672 1.909 1.543 3404.000 o
-7 2 11 202.105 209.410 11.481 18.285 o
-7 3 1 722.174 762.230 22.169 2.216 o
-7 3 2 167.531 193.609 13.142 20.389 o
-7 3 3 2131.130 2311.100 67.798 0.271 o
-7 3 4 93.913 109.768 7.814 51.283 o
-7 3 5 1468.130 1611.510 82.058 0.455 o
-7 3 6 2789.800 2861.370 83.268 0.168 o
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-7 3 8 1117.130 1125.190 29.091 1.026 o
-7 3 9 1101.750 1095.800 24.757 1.083 o
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-7 4 3 6294.690 7636.690 196.184 0.030 o
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-7 4 5 602.536 609.851 14.050 3.312 o
-7 4 6 331.762 306.356 9.948 9.826 o
-7 4 7 569.063 550.620 20.455 3.495 o
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-7 5 4 1050.670 1075.990 34.710 1.092 o
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-7 5 8 276.751 265.303 11.900 12.183 o
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-7 6 1 2515.780 2758.250 50.899 0.208 o
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-7 6 4 127.057 128.453 6.415 41.412 o
-7 6 5 476.093 456.195 15.553 4.979 o
-7 6 6 1705.660 1708.650 36.083 0.468 o
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-7 7 7 1235.020 1160.970 25.875 0.907 o
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-6 -2 5 2868.900 2788.440 43.451 0.178 o
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-6 -2 7 65.454 56.912 4.296 110.271 o
-6 -2 8 1587.630 1430.560 70.641 0.480 o
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